(4E)-4-[(4-butoxyphenyl)-oxidanyl-methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(4-butoxyphenyl)-oxidanyl-methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(4-butoxyphenyl)-hydroxy-methylene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(4-butoxyphenyl)-hydroxy-methylene]-5-(3-nitrophenyl)pyrrolidine-2,3-quinone Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=C2C(NC(=O)C2=O)C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C(=C\2/C(NC(=O)C2=O)C3=CC(=CC=C3)[N+](=O)[O-])/O

InChI

InChI=1S/C21H20N2O6/c1-2-3-11-29-16-9-7-13(8-10-16)19(24)17-18(22-21(26)20(17)25)14-5-4-6-15(12-14)23(27)28/h4-10,12,18,24H,2-3,11H2,1H3,(H,22,26)/b19-17+