[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-13-7-9-16(10-8-13)23-12-15(11-19(23)25)21(27)30-14(2)20(26)22-17-5-3-4-6-18(17)24(28)29/h3-10,14-15H,11-12H2,1-2H3,(H,22,26)