2-[(6-bromanyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(6-bromanyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(6-bromo-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(6-bromo-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-bromo-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(6-bromo-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C12H9BrN2O4 MolecularWeight: 325.11486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN=C(C(=C2C=C1Br)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC2=CN=C(C(=C2C=C1Br)O)C(=O)NCC(=O)O

InChI

InChI=1S/C12H9BrN2O4/c13-7-2-1-6-4-14-10(11(18)8(6)3-7)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)