3-(1-oxidanylideneisoquinolin-2-yl)propanoic acid

Systemtic Name: 3-(1-oxidanylideneisoquinolin-2-yl)propanoic acid Openeye Name: 3-(1-oxo-2-isoquinolyl)propanoic acid CAS Name: 3-(1-oxo-2-isoquinolinyl)propanoic acid IUPAC Name: 3-(1-oxoisoquinolin-2-yl)propanoic acid Traditional Name: 3-(1-keto-2-isoquinolyl)propionic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CCC(=O)O

InChI

InChI=1S/C12H11NO3/c14-11(15)6-8-13-7-5-9-3-1-2-4-10(9)12(13)16/h1-5,7H,6,8H2,(H,14,15)