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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-28-17-8-6-15(7-9-17)20(24)14-29-21(25)16-10-12-22(13-11-16)18-4-2-3-5-19(18)23(26)27/h2-9,16H,10-14H2,1H3