2-[(1-chloranyl-6-methoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-chloranyl-6-methoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-6-methoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-6-methoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-6-methoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-hydroxy-6-methoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H11ClN2O5 MolecularWeight: 310.68984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCC(=O)O)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCC(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O5/c1-21-6-2-3-7-8(4-6)11(19)10(16-12(7)14)13(20)15-5-9(17)18/h2-4,19H,5H2,1H3,(H,15,20)(H,17,18)