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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-12(2)18-16(21)11-25-17(22)13-7-9-19(10-8-13)14-5-3-4-6-15(14)20(23)24/h3-6,12-13H,7-11H2,1-2H3,(H,18,21)