(3,5-dimethylphenyl) (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3,5-dimethylphenyl) (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3,5-dimethylphenyl) (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxy-4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) (3S)-1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxy-4-nitro-phenyl)pyrrolidine-3-carboxylic acid (3,5-dimethylphenyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-12-6-13(2)8-16(7-12)28-20(24)14-9-19(23)21(11-14)17-5-4-15(22(25)26)10-18(17)27-3/h4-8,10,14H,9,11H2,1-3H3/t14-/m0/s1