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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (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 (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (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 (2-anilino-2-keto-ethyl) ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O7/c1-29-17-10-15(23(27)28)7-8-16(17)22-11-13(9-19(22)25)20(26)30-12-18(24)21-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H,21,24)/t13-/m0/s1