4-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzoic acid Openeye Name: 4-(1,3-dioxo-4H-isoquinolin-2-yl)benzoic acid CAS Name: 4-(1,3-dioxo-4H-isoquinolin-2-yl)benzoic acid IUPAC Name: 4-(1,3-dioxo-4H-isoquinolin-2-yl)benzoic acid Traditional Name: 4-(1,3-diketo-4H-isoquinolin-2-yl)benzoic acid Formula: C16H11NO4 MolecularWeight: 281.26284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11NO4/c18-14-9-11-3-1-2-4-13(11)15(19)17(14)12-7-5-10(6-8-12)16(20)21/h1-8H,9H2,(H,20,21)