[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(4-methoxyanilino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-2-(p-anisidino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-29-17-8-6-16(7-9-17)22-20(25)14-30-21(26)15-10-12-23(13-11-15)18-4-2-3-5-19(18)24(27)28/h2-9,15H,10-14H2,1H3,(H,22,25)