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

Systemtic Name: 2-[(1-chloranyl-7-methoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-7-methoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-7-methoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-7-methoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-hydroxy-7-methoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O

InChI

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