2-[[8-(4-bromanyl-2-fluoranyl-phenyl)-6-oxidanylidene-4H-quinoxalin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[8-(4-bromanyl-2-fluoranyl-phenyl)-6-oxidanylidene-4H-quinoxalin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[8-(4-bromo-2-fluoro-phenyl)-6-oxo-4H-quinoxaline-5-carbonyl]amino]acetic acid CAS Name: 2-[[[8-(4-bromo-2-fluorophenyl)-6-oxo-4H-quinoxalin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[8-(4-bromo-2-fluorophenyl)-6-oxo-4H-quinoxaline-5-carbonyl]amino]acetic acid Traditional Name: 2-[[8-(4-bromo-2-fluoro-phenyl)-6-keto-4H-quinoxaline-5-carbonyl]amino]acetic acid Formula: C17H11BrFN3O4 MolecularWeight: 420.189343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)C2=CC(=O)C(=C3C2=NC=CN3)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)C2=CC(=O)C(=C3C2=NC=CN3)C(=O)NCC(=O)O

InChI

InChI=1S/C17H11BrFN3O4/c18-8-1-2-9(11(19)5-8)10-6-12(23)14(17(26)22-7-13(24)25)16-15(10)20-3-4-21-16/h1-6,21H,7H2,(H,22,26)(H,24,25)