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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O6/c1-17-16(23)18-14(21)10-26-15(22)11-6-8-19(9-7-11)12-4-2-3-5-13(12)20(24)25/h2-5,11H,6-10H2,1H3,(H2,17,18,21,23)