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

Systemtic Name: 2-[[1-bromanyl-4-oxidanyl-7-(trifluoromethyl)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-bromo-4-hydroxy-7-(trifluoromethyl)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-bromo-4-hydroxy-7-(trifluoromethyl)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-bromo-4-hydroxy-7-(trifluoromethyl)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-bromo-4-hydroxy-7-(trifluoromethyl)isoquinoline-3-carbonyl]amino]acetic acid Formula: C13H8BrF3N2O4 MolecularWeight: 393.11283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)C(=NC(=C2O)C(=O)NCC(=O)O)Br

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=NC(=C2O)C(=O)NCC(=O)O)Br

InChI

InChI=1S/C13H8BrF3N2O4/c14-11-7-3-5(13(15,16)17)1-2-6(7)10(22)9(19-11)12(23)18-4-8(20)21/h1-3,22H,4H2,(H,18,23)(H,20,21)