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

Systemtic Name: (4-ethylphenyl) (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-ethylphenyl) (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-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) (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-ethylphenyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=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/C20H20N2O6/c1-3-13-4-7-16(8-5-13)28-20(24)14-10-19(23)21(12-14)17-9-6-15(22(25)26)11-18(17)27-2/h4-9,11,14H,3,10,12H2,1-2H3/t14-/m0/s1