2-[(1-chloranyl-5-methyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-chloranyl-5-methyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-5-methyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-5-methyl-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-5-methylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-hydroxy-5-methyl-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=C(N=C2Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

CC1=CC=CC2=C1C(=C(N=C2Cl)C(=O)NCC(=O)O)O

InChI

InChI=1S/C13H11ClN2O4/c1-6-3-2-4-7-9(6)11(19)10(16-12(7)14)13(20)15-5-8(17)18/h2-4,19H,5H2,1H3,(H,15,20)(H,17,18)