[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C22H22ClN3O7 MolecularWeight: 475.87898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN3O7/c1-32-17-6-7-18(19(12-17)26(30)31)24-20(27)13-33-22(29)15-8-10-25(11-9-15)21(28)14-2-4-16(23)5-3-14/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)