[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)C(C)(C)C

InChI

InChI=1S/C20H27N3O6/c1-13(17(24)21-15-6-5-7-16(12-15)23(27)28)29-18(25)14-8-10-22(11-9-14)19(26)20(2,3)4/h5-7,12-14H,8-11H2,1-4H3,(H,21,24)