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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] (3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C20H18FN3O6 MolecularWeight: 415.371823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3F

InChI

InChI=1S/C20H18FN3O6/c1-12-6-7-14(24(28)29)9-16(12)22-18(25)11-30-20(27)13-8-19(26)23(10-13)17-5-3-2-4-15(17)21/h2-7,9,13H,8,10-11H2,1H3,(H,22,25)/t13-/m0/s1