ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate

C16H15N3O4 — CID 139126030

IUPACethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
SMILESCCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-2-23-16(20)15(12-6-4-3-5-7-12)18-17-13-8-10-14(11-9-13)19(21)22/h3-11,17H,2H2,1H3/b18-15-
InChIKeyQJKPKIJVGRJUTE-SDXDJHTJSA-N
MW313.31 g/mol
LogP2.97
Rot. Bonds6

About ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate

ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate (PubChem CID 139126030) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
PubChem CID139126030
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Nameethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
SMILESCCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-2-23-16(20)15(12-6-4-3-5-7-12)18-17-13-8-10-14(11-9-13)19(21)22/h3-11,17H,2H2,1H3/b18-15-
InChIKeyQJKPKIJVGRJUTE-SDXDJHTJSA-N
XLogP2.97
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate
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ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
ethyl (2E)-2-[(4-nitrophenyl)hydrazinylidene]pentanoate
CID 18653713
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
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CID 90720670
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CID 5360802
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
ethyl (2Z)-2-(2-methylbenzimidazol-1-yl)-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 139081448
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 11141807
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate?
The IUPAC name of ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate (CID 139126030) is ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate.
What is the SMILES notation for ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate?
The canonical SMILES for ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate is CCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate?
The InChIKey is QJKPKIJVGRJUTE-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-2-23-16(20)15(12-6-4-3-5-7-12)18-17-13-8-10-14(11-9-13)19(21)22/h3-11,17H,2H2,1H3/b18-15-.
What are the key properties of ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate?
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate has a molecular weight of 313.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate is sourced from PubChem (CID 139126030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).