(4-nitrophenyl) (3S)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-nitrophenyl) (3S)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-nitrophenyl) (3S)-1-(2,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,5-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-nitrophenyl) ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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