1-[8-bromanyl-4-oxidanylidene-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]ethylphosphonic acid

Systemtic Name: 1-[8-bromanyl-4-oxidanylidene-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]ethylphosphonic acid Openeye Name: 1-[8-bromo-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]ethylphosphonic acid CAS Name: 1-[8-bromo-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]ethylphosphonic acid IUPAC Name: 1-[8-bromo-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]ethylphosphonic acid Traditional Name: 1-[8-bromo-4-keto-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]ethylphosphonic acid Formula: C12H9BrF3N4O4P MolecularWeight: 441.097231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C2N1C3=C(C=C(C(=C3)Br)C(F)(F)F)NC2=O)P(=O)(O)O

Isomeric SMILES

CC(C1=NN=C2N1C3=C(C=C(C(=C3)Br)C(F)(F)F)NC2=O)P(=O)(O)O

InChI

InChI=1S/C12H9BrF3N4O4P/c1-4(25(22,23)24)9-18-19-10-11(21)17-7-2-5(12(14,15)16)6(13)3-8(7)20(9)10/h2-4H,1H3,(H,17,21)(H2,22,23,24)