[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] (3S)-1-(o-tolyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(o-tolyl)pyrrolidine-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-13-5-3-4-6-17(13)23-11-15(9-20(23)26)21(27)30-12-19(25)22-16-8-7-14(2)18(10-16)24(28)29/h3-8,10,15H,9,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1