[(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate

C159H194N22O34 — CID 172928543

About [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate

[(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate (PubChem CID 172928543) has the molecular formula C159H194N22O34 and a molecular weight of 2957.42 g/mol. Its IUPAC name is [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate.

Molecular Properties

• Compound Name: [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate
• PubChem CID: 172928543
• Molecular Formula: C159H194N22O34
• Molecular Weight: 2957.42 g/mol
• Exact Mass: 2955.41
• IUPAC Name: [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate
• SMILES: CC/C(=N\OC(C)=O)c1cc([N+](=O)[O-])c2c(c1)c1cc(/C(=N/OC(C)=O)C3CCCCC3)ccc1n2CC.CC/C(=N\OC(C)=O)c1cc([N+](=O)[O-])c2c(c1)c1cc(/C(CCC3CCCCC3)=N/OC(C)=O)cc([N+](=O)[O-])c1n2CC.CCC(=O)O/N=C(\CC(C)C)c1cc(CC)c2c(c1)c1cc(/C(CC(C)C)=N/OC(=O)CC)cc([N+](=O)[O-])c1n2CC.CCC/C(=N\OC(=O)C1CCCC1)c1cc(CC)c2c(c1)c1cc(/C(=N/OC(=O)C3CCCC3)C3CCCCC3)cc([N+](=O)[O-])c1n2CC.CCC/C(=N\OC(C)=O)c1cc([N+](=O)[O-])c2c(c1)c1cc(/C(CC3CCCCC3)=N/OC(C)=O)cc([N+](=O)[O-])c1n2CC
• InChI: InChI=1S/C39H50N4O6.C32H42N4O6.2C30H35N5O8.C28H32N4O6/c1-4-14-33(40-48-38(44)27-17-10-11-18-27)29-21-25(5-2)36-31(22-29)32-23-30(24-34(43(46)47)37(32)42(36)6-3)35(26-15-8-7-9-16-26)41-49-39(45)28-19-12-13-20-28;1-9-21-15-22(26(13-19(5)6)33-41-29(37)10-2)16-24-25-17-23(27(14-20(7)8)34-42-30(38)11-3)18-28(36(39)40)32(25)35(12-4)31(21)24;1-5-25(31-42-18(3)36)21-14-23-24-15-22(26(32-43-19(4)37)13-12-20-10-8-7-9-11-20)17-28(35(40)41)30(24)33(6-2)29(23)27(16-21)34(38)39;1-5-10-25(31-42-18(3)36)21-14-23-24-15-22(26(32-43-19(4)37)13-20-11-8-7-9-12-20)17-28(35(40)41)30(24)33(6-2)29(23)27(16-21)34(38)39;1-5-24(29-37-17(3)33)21-15-23-22-14-20(27(30-38-18(4)34)19-10-8-7-9-11-19)12-13-25(22)31(6-2)28(23)26(16-21)32(35)36/h21-24,26-28H,4-20H2,1-3H3;15-20H,9-14H2,1-8H3;2*14-17,20H,5-13H2,1-4H3;12-16,19H,5-11H2,1-4H3/b40-33+,41-35+;33-26+,34-27+;2*31-25+,32-26+;29-24+,30-27+
• InChIKey: NETJYWMBYSRNTN-VDBVQBCBSA-N
• XLogP: 37.35
• TPSA: 713.23 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 55
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2957.42
LogP ≤ 5	37.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate?

The IUPAC name of [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate (CID 172928543) is [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate.

What is the SMILES notation for [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate?

The canonical SMILES for [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate is CC/C(=N\OC(C)=O)c1cc([N+](=O)[O-])c2c(c1)c1cc(/C(=N/OC(C)=O)C3CCCCC3)ccc1n2CC.CC/C(=N\OC(C)=O)c1cc([N+](=O)[O-])c2c(c1)c1cc(/C(CCC3CCCCC3)=N/OC(C)=O)cc([N+](=O)[O-])c1n2CC.CCC(=O)O/N=C(\CC(C)C)c1cc(CC)c2c(c1)c1cc(/C(CC(C)C)=N/OC(=O)CC)cc([N+](=O)[O-])c1n2CC.CCC/C(=N\OC(=O)C1CCCC1)c1cc(CC)c2c(c1)c1cc(/C(=N/OC(=O)C3CCCC3)C3CCCCC3)cc([N+](=O)[O-])c1n2CC.CCC/C(=N\OC(C)=O)c1cc([N+](=O)[O-])c2c(c1)c1cc(/C(CC3CCCCC3)=N/OC(C)=O)cc([N+](=O)[O-])c1n2CC.

What is the InChIKey of [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate?

The InChIKey is NETJYWMBYSRNTN-VDBVQBCBSA-N. The full InChI is InChI=1S/C39H50N4O6.C32H42N4O6.2C30H35N5O8.C28H32N4O6/c1-4-14-33(40-48-38(44)27-17-10-11-18-27)29-21-25(5-2)36-31(22-29)32-23-30(24-34(43(46)47)37(32)42(36)6-3)35(26-15-8-7-9-16-26)41-49-39(45)28-19-12-13-20-28;1-9-21-15-22(26(13-19(5)6)33-41-29(37)10-2)16-24-25-17-23(27(14-20(7)8)34-42-30(38)11-3)18-28(36(39)40)32(25)35(12-4)31(21)24;1-5-25(31-42-18(3)36)21-14-23-24-15-22(26(32-43-19(4)37)13-12-20-10-8-7-9-11-20)17-28(35(40)41)30(24)33(6-2)29(23)27(16-21)34(38)39;1-5-10-25(31-42-18(3)36)21-14-23-24-15-22(26(32-43-19(4)37)13-20-11-8-7-9-12-20)17-28(35(40)41)30(24)33(6-2)29(23)27(16-21)34(38)39;1-5-24(29-37-17(3)33)21-15-23-22-14-20(27(30-38-18(4)34)19-10-8-7-9-11-19)12-13-25(22)31(6-2)28(23)26(16-21)32(35)36/h21-24,26-28H,4-20H2,1-3H3;15-20H,9-14H2,1-8H3;2*14-17,20H,5-13H2,1-4H3;12-16,19H,5-11H2,1-4H3/b40-33+,41-35+;33-26+,34-27+;2*31-25+,32-26+;29-24+,30-27+.

What are the key properties of [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate?

[(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate has a molecular weight of 2957.42 g/mol, XLogP of 37.35, 55 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-1-[6-[(E)-N-acetyloxy-C-cyclohexylcarbonimidoyl]-9-ethyl-1-nitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(2-cyclohexylethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]propylideneamino] acetate;[(E)-1-[6-[(E)-N-acetyloxy-C-(cyclohexylmethyl)carbonimidoyl]-9-ethyl-1,8-dinitrocarbazol-3-yl]butylideneamino] acetate;[(E)-1-[6-[(E)-C-cyclohexyl-N-(cyclopentanecarbonyloxy)carbonimidoyl]-1,9-diethyl-8-nitrocarbazol-3-yl]butylideneamino] cyclopentanecarboxylate;[(E)-[1-[1,9-diethyl-6-[(E)-C-(2-methylpropyl)-N-propanoyloxycarbonimidoyl]-8-nitrocarbazol-3-yl]-3-methylbutylidene]amino] propanoate is sourced from PubChem (CID 172928543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).