[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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