2-[[8-(3-bromanyl-5-fluoranyl-phenyl)-6-oxidanylidene-4H-quinoxalin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[8-(3-bromanyl-5-fluoranyl-phenyl)-6-oxidanylidene-4H-quinoxalin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[8-(3-bromo-5-fluoro-phenyl)-6-oxo-4H-quinoxaline-5-carbonyl]amino]acetic acid CAS Name: 2-[[[8-(3-bromo-5-fluorophenyl)-6-oxo-4H-quinoxalin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[8-(3-bromo-5-fluorophenyl)-6-oxo-4H-quinoxaline-5-carbonyl]amino]acetic acid Traditional Name: 2-[[8-(3-bromo-5-fluoro-phenyl)-6-keto-4H-quinoxaline-5-carbonyl]amino]acetic acid Formula: C17H11BrFN3O4 MolecularWeight: 420.189343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=CC(=O)C(=C2N1)C(=O)NCC(=O)O)C3=CC(=CC(=C3)Br)F

Isomeric SMILES

C1=CN=C2C(=CC(=O)C(=C2N1)C(=O)NCC(=O)O)C3=CC(=CC(=C3)Br)F

InChI

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