[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl] (phenylmethyl) sulfate

Systemtic Name: [7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl] (phenylmethyl) sulfate Openeye Name: benzyl [7-imidazol-1-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl] sulfate CAS Name: sulfuric acid [7-(1-imidazolyl)-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl] (phenylmethyl) ester IUPAC Name: benzyl [7-imidazol-1-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl] sulfate Traditional Name: sulfuric acid benzyl [7-imidazol-1-yl-2,3-diketo-6-(trifluoromethyl)-4H-quinoxalin-1-yl] ester Formula: C19H13F3N4O6S MolecularWeight: 482.38993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COS(=O)(=O)ON2C3=C(C=C(C(=C3)N4C=CN=C4)C(F)(F)F)NC(=O)C2=O

Isomeric SMILES

C1=CC=C(C=C1)COS(=O)(=O)ON2C3=C(C=C(C(=C3)N4C=CN=C4)C(F)(F)F)NC(=O)C2=O

InChI

InChI=1S/C19H13F3N4O6S/c20-19(21,22)13-8-14-16(9-15(13)25-7-6-23-11-25)26(18(28)17(27)24-14)32-33(29,30)31-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,24,27)