2-[(1-cyano-7-methoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-cyano-7-methoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-cyano-4-hydroxy-7-methoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-cyano-4-hydroxy-7-methoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyano-4-hydroxy-7-methoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-cyano-4-hydroxy-7-methoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C14H11N3O5 MolecularWeight: 301.25424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(N=C(C(=C2C=C1)O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

COC1=CC2=C(N=C(C(=C2C=C1)O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C14H11N3O5/c1-22-7-2-3-8-9(4-7)10(5-15)17-12(13(8)20)14(21)16-6-11(18)19/h2-4,20H,6H2,1H3,(H,16,21)(H,18,19)