About 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate
4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate (PubChem CID 158943046) has the molecular formula C200H246Br4Cl14N40O50
and a molecular weight of 4826.36 g/mol. Its IUPAC name is 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate.
Frequently Asked Questions
What is the IUPAC name of 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate?
The IUPAC name of 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate (CID 158943046) is 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate.
What is the SMILES notation for 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate?
The canonical SMILES for 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate is C=CC(=O)Nc1cc(N2CC3(CCNCC3)C2)ccc1Nc1cc(N(C)C(=O)Cc2c(Cl)c(OC)cc(OC)c2Cl)ncn1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1[N+](=O)[O-].CC(C)(C)OC(=O)N1CCC2(CC1)CNC2.CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-].CNc1cc(Cl)ncn1.COc1cc(OC)c(Cl)c(CC(=O)N(C)c2cc(Cl)ncn2)c1Cl.COc1cc(OC)c(Cl)c(N(C(=O)OC(C)(C)C)C(=O)N(C)c2cc(Cl)ncn2)c1Cl.COc1cc(OC)c(Cl)c(N(C(=O)OC(C)(C)C)C(=O)N(C)c2cc(Cl)ncn2)c1Cl.COc1cc(OC)c(Cl)c(OC#N)c1Cl.Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate?
The InChIKey is JKMLKYAHELWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35Cl2N7O4.2C23H34N4O6.2C19H21Cl3N4O5.C16H21BrN2O6.C15H14Cl3N3O3.C12H22N2O2.2C11H13BrN2O4.C9H7Cl2NO3.C6H5BrN2O2.C5H6ClN3/c1-5-27(41)38-22-12-19(40-16-31(17-40)8-10-34-11-9-31)6-7-21(22)37-25-15-26(36-18-35-25)39(2)28(42)13-20-29(32)23(43-3)14-24(44-4)30(20)33;2*1-21(2,3)32-19(28)24-17-8-7-16(13-18(17)27(30)31)26-14-23(15-26)9-11-25(12-10-23)20(29)33-22(4,5)6;2*1-19(2,3)31-18(28)26(17(27)25(4)13-8-12(20)23-9-24-13)16-14(21)10(29-5)7-11(30-6)15(16)22;1-15(2,3)24-13(20)18(14(21)25-16(4,5)6)11-8-7-10(17)9-12(11)19(22)23;1-21(12-6-11(16)19-7-20-12)13(22)4-8-14(17)9(23-2)5-10(24-3)15(8)18;1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;2*1-11(2,3)18-10(15)13-8-5-4-7(12)6-9(8)14(16)17;1-13-5-3-6(14-2)8(11)9(7(5)10)15-4-12;7-4-1-2-5(8)6(3-4)9(10)11;1-7-5-2-4(6)8-3-9-5/h5-7,12,14-15,18,34H,1,8-11,13,16-17H2,2-4H3,(H,38,41)(H,35,36,37);2*7-8,13H,9-12,14-15H2,1-6H3,(H,24,28);2*7-9H,1-6H3;7-9H,1-6H3;5-7H,4H2,1-3H3;13H,4-9H2,1-3H3;2*4-6H,1-3H3,(H,13,15);3H,1-2H3;1-3H,8H2;2-3H,1H3,(H,7,8,9).
What are the key properties of 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate?
4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate has a molecular weight of 4826.36 g/mol, XLogP of 49.22, 40 rotatable bonds, 10 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-nitroaniline;bis(tert-butyl N-(4-bromo-2-nitrophenyl)carbamate);tert-butyl N-(4-bromo-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;bis(tert-butyl N-[(6-chloropyrimidin-4-yl)-methylcarbamoyl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)carbamate);tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;bis(tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);6-chloro-N-methylpyrimidin-4-amine;N-(6-chloropyrimidin-4-yl)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methylacetamide;N-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)acetyl]-methylamino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(2,6-dichloro-3,5-dimethoxyphenyl) cyanate is sourced from PubChem (CID 158943046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).