[4-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]phenyl] butanoate

Systemtic Name: [4-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]phenyl] butanoate Openeye Name: [4-(1,3-dioxo-4H-isoquinolin-2-yl)phenyl] butanoate CAS Name: butanoic acid [4-(1,3-dioxo-4H-isoquinolin-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dioxo-4H-isoquinolin-2-yl)phenyl] butanoate Traditional Name: butyric acid [4-(1,3-diketo-4H-isoquinolin-2-yl)phenyl] ester Formula: C19H17NO4 MolecularWeight: 323.34258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H17NO4/c1-2-5-18(22)24-15-10-8-14(9-11-15)20-17(21)12-13-6-3-4-7-16(13)19(20)23/h3-4,6-11H,2,5,12H2,1H3