2-[(1-cyano-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-cyano-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-cyano-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyano-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H9N3O4 MolecularWeight: 271.22826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=C2O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=C2O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C13H9N3O4/c14-5-9-7-3-1-2-4-8(7)12(19)11(16-9)13(20)15-6-10(17)18/h1-4,19H,6H2,(H,15,20)(H,17,18)