2-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)ethanoic acid Openeye Name: 2-(2-methyl-1-oxo-4-isoquinolyl)acetic acid CAS Name: 2-(2-methyl-1-oxo-4-isoquinolinyl)acetic acid IUPAC Name: 2-(2-methyl-1-oxoisoquinolin-4-yl)acetic acid Traditional Name: 2-(1-keto-2-methyl-4-isoquinolyl)acetic acid Formula: C12H11NO3 MolecularWeight: 217.22064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)CC(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)CC(=O)O

InChI

InChI=1S/C12H11NO3/c1-13-7-8(6-11(14)15)9-4-2-3-5-10(9)12(13)16/h2-5,7H,6H2,1H3,(H,14,15)