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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

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