2-[[1,7-bis(bromanyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1,7-bis(bromanyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1,7-dibromo-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1,7-dibromo-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1,7-dibromo-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1,7-dibromo-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C12H8Br2N2O4 MolecularWeight: 404.01092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=C2O)C(=O)NCC(=O)O)Br

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=C2O)C(=O)NCC(=O)O)Br

InChI

InChI=1S/C12H8Br2N2O4/c13-5-1-2-6-7(3-5)11(14)16-9(10(6)19)12(20)15-4-8(17)18/h1-3,19H,4H2,(H,15,20)(H,17,18)