(3,5-dimethylphenyl) (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3,5-dimethylphenyl) (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3,5-dimethylphenyl) (3S)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) (3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid (3,5-dimethylphenyl) ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-12-7-13(2)9-17(8-12)26-19(23)14-10-18(22)20(11-14)15-3-5-16(6-4-15)21(24)25/h3-9,14H,10-11H2,1-2H3/t14-/m0/s1