2-[[1,6,7-tris(chloranyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1,6,7-tris(chloranyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1,6,7-trichloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[oxo-(1,6,7-trichloro-4-hydroxy-3-isoquinolinyl)methyl]amino]acetic acid IUPAC Name: 2-[(1,6,7-trichloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1,6,7-trichloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C12H7Cl3N2O4 MolecularWeight: 349.55398

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)Cl)C(=NC(=C2O)C(=O)NCC(=O)O)Cl

Isomeric SMILES

C1=C2C(=CC(=C1Cl)Cl)C(=NC(=C2O)C(=O)NCC(=O)O)Cl

InChI

InChI=1S/C12H7Cl3N2O4/c13-6-1-4-5(2-7(6)14)11(15)17-9(10(4)20)12(21)16-3-8(18)19/h1-2,20H,3H2,(H,16,21)(H,18,19)