methyl 4-[[2,3-bis(oxidanylidene)-4-propan-2-yl-7-(trifluoromethyl)quinoxalin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2,3-bis(oxidanylidene)-4-propan-2-yl-7-(trifluoromethyl)quinoxalin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-isopropyl-2,3-dioxo-7-(trifluoromethyl)quinoxalin-1-yl]methyl]benzoate CAS Name: 4-[[2,3-dioxo-4-propan-2-yl-7-(trifluoromethyl)-1-quinoxalinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2,3-dioxo-4-propan-2-yl-7-(trifluoromethyl)quinoxalin-1-yl]methyl]benzoate Traditional Name: 4-[[4-isopropyl-2,3-diketo-7-(trifluoromethyl)quinoxalin-1-yl]methyl]benzoic acid methyl ester Formula: C21H19F3N2O4 MolecularWeight: 420.38177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)C(F)(F)F)N(C(=O)C1=O)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)C(F)(F)F)N(C(=O)C1=O)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19F3N2O4/c1-12(2)26-16-9-8-15(21(22,23)24)10-17(16)25(18(27)19(26)28)11-13-4-6-14(7-5-13)20(29)30-3/h4-10,12H,11H2,1-3H3