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

Systemtic Name: 2-[(7-chloranyl-1-methyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-chloro-4-hydroxy-1-methyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(7-chloro-4-hydroxy-1-methyl-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-chloro-4-hydroxy-1-methylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(7-chloro-4-hydroxy-1-methyl-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=C1C=C(C=C2)Cl)O)C(=O)NCC(=O)O

Isomeric SMILES

CC1=NC(=C(C2=C1C=C(C=C2)Cl)O)C(=O)NCC(=O)O

InChI

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