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

Systemtic Name: (4-ethanoylphenyl) (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c1-12(23)13-3-6-16(7-4-13)29-20(25)14-9-19(24)21(11-14)17-8-5-15(22(26)27)10-18(17)28-2/h3-8,10,14H,9,11H2,1-2H3/t14-/m0/s1