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

Systemtic Name: 4-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-anilino]cyclohexanecarboxylic acid CAS Name: 4-[2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitroanilino]cyclohexane-1-carboxylic acid Traditional Name: 4-[4-nitro-2-(veratrylcarbamoyl)anilino]cyclohexanecarboxylic acid Formula: C23H27N3O7 MolecularWeight: 457.47638

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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)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7/c1-32-20-10-3-14(11-21(20)33-2)13-24-22(27)18-12-17(26(30)31)8-9-19(18)25-16-6-4-15(5-7-16)23(28)29/h3,8-12,15-16,25H,4-7,13H2,1-2H3,(H,24,27)(H,28,29)