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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC#N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC#N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c18-8-3-9-19-16(22)12-26-17(23)13-6-10-20(11-7-13)14-4-1-2-5-15(14)21(24)25/h1-2,4-5,13H,3,6-7,9-12H2,(H,19,22)