[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (2-keto-2-mesidino-ethyl) ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-15-12-16(2)22(17(3)13-15)24-21(27)14-31-23(28)18-8-10-25(11-9-18)19-6-4-5-7-20(19)26(29)30/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,27)