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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C2=CC=CC=C21)Cl)C(=O)NCC(=O)O

Isomeric SMILES

COC1=C(N=C(C2=CC=CC=C21)Cl)C(=O)NCC(=O)O

InChI

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