[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H24N2O5/c1-15-7-8-18(13-16(15)2)21(25)14-29-22(26)17-9-11-23(12-10-17)19-5-3-4-6-20(19)24(27)28/h3-8,13,17H,9-12,14H2,1-2H3