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

Systemtic Name: 2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O

InChI

InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)