2-(3-butanoyl-4-oxidanylidene-1H-quinolin-6-yl)isoindole-1,3-dione

Systemtic Name: 2-(3-butanoyl-4-oxidanylidene-1H-quinolin-6-yl)isoindole-1,3-dione Openeye Name: 2-(3-butanoyl-4-oxo-1H-quinolin-6-yl)isoindoline-1,3-dione CAS Name: 2-[4-oxo-3-(1-oxobutyl)-1H-quinolin-6-yl]isoindole-1,3-dione IUPAC Name: 2-(3-butanoyl-4-oxo-1H-quinolin-6-yl)isoindole-1,3-dione Traditional Name: 2-(3-butyryl-4-keto-1H-quinolin-6-yl)isoindoline-1,3-quinone Formula: C21H16N2O4 MolecularWeight: 360.36274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CNC2=C(C1=O)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCC(=O)C1=CNC2=C(C1=O)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16N2O4/c1-2-5-18(24)16-11-22-17-9-8-12(10-15(17)19(16)25)23-20(26)13-6-3-4-7-14(13)21(23)27/h3-4,6-11H,2,5H2,1H3,(H,22,25)