[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] (3S)-1-(2,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] (3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,5-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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