(5S)-1-butyl-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione

Systemtic Name: (5S)-1-butyl-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione Openeye Name: (5S)-1-butyl-4-[hydroxy-(4-methoxyphenyl)methylene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione CAS Name: (5S)-1-butyl-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-1-butyl-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione Traditional Name: (5S)-1-butyl-4-[hydroxy-(4-methoxyphenyl)methylene]-5-(3-nitrophenyl)pyrrolidine-2,3-quinone Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C2=CC=C(C=C2)OC)O)C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1[C@H](C(=C(C2=CC=C(C=C2)OC)O)C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6/c1-3-4-12-23-19(15-6-5-7-16(13-15)24(28)29)18(21(26)22(23)27)20(25)14-8-10-17(30-2)11-9-14/h5-11,13,19,25H,3-4,12H2,1-2H3/t19-/m0/s1