methyl 4-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-anilino]cyclohexanecarboxylate CAS Name: 4-[2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitroanilino]cyclohexane-1-carboxylate Traditional Name: 4-[4-nitro-2-(veratrylcarbamoyl)anilino]cyclohexanecarboxylic acid methyl ester Formula: C24H29N3O7 MolecularWeight: 471.50296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)C(=O)OC)OC

InChI

InChI=1S/C24H29N3O7/c1-32-21-11-4-15(12-22(21)33-2)14-25-23(28)19-13-18(27(30)31)9-10-20(19)26-17-7-5-16(6-8-17)24(29)34-3/h4,9-13,16-17,26H,5-8,14H2,1-3H3,(H,25,28)