[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-acetamidocyclohexane-1-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-acetamidocyclohexane-1-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1-acetamidocyclohexanecarboxylate CAS Name: 1-acetamido-1-cyclohexanecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1-acetamidocyclohexane-1-carboxylate Traditional Name: 1-acetamidocyclohexanecarboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CCCCC1)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1(CCCCC1)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6/c1-12(21)19-17(9-5-2-6-10-17)16(23)26-11-15(22)18-13-7-3-4-8-14(13)20(24)25/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,18,22)(H,19,21)