2-[2-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid Openeye Name: 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid CAS Name: 2-[2-oxo-3-(trifluoromethyl)-1-quinoxalinyl]propanoic acid IUPAC Name: 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid Traditional Name: 2-[2-keto-3-(trifluoromethyl)quinoxalin-1-yl]propionic acid Formula: C12H9F3N2O3 MolecularWeight: 286.20667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=CC=CC=C2N=C(C1=O)C(F)(F)F

Isomeric SMILES

CC(C(=O)O)N1C2=CC=CC=C2N=C(C1=O)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O3/c1-6(11(19)20)17-8-5-3-2-4-7(8)16-9(10(17)18)12(13,14)15/h2-6H,1H3,(H,19,20)