(3S)-1-(4-ethoxyphenyl)-N-(5-methoxy-2-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-N-(5-methoxy-2-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(4-ethoxyphenyl)-N-(5-methoxy-2-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(4-ethoxyphenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(4-ethoxyphenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-(5-methoxy-2-nitro-phenyl)-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=C(C=CC(=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-3-29-15-6-4-14(5-7-15)22-12-13(10-19(22)24)20(25)21-17-11-16(28-2)8-9-18(17)23(26)27/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,25)/t13-/m0/s1