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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]butanoic acid Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)butanoic acid CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)butanoic acid IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)butanoic acid Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)butyric acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-8(6-12(16)17)14-11(15)7-9-4-2-3-5-10(9)13(14)18/h2-5,8H,6-7H2,1H3,(H,16,17)