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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoic acid Openeye Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid IUPAC Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid Formula: C12H11NO4 MolecularWeight: 233.22004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C(=O)O)N1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H11NO4/c1-7(12(16)17)13-10(14)6-8-4-2-3-5-9(8)11(13)15/h2-5,7H,6H2,1H3,(H,16,17)