1-[6,7-dimethyl-4-oxidanidyl-1-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one

Systemtic Name: 1-[6,7-dimethyl-4-oxidanidyl-1-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Openeye Name: 1-[6,7-dimethyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one CAS Name: 1-[6,7-dimethyl-4-oxido-1-oxo-3-(trifluoromethyl)-2-quinoxalin-1-iumyl]-1-propanone IUPAC Name: 1-[6,7-dimethyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Traditional Name: 1-[1-keto-6,7-dimethyl-4-oxido-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Formula: C14H13F3N2O3 MolecularWeight: 314.25983

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C2=C([N+]1=O)C=C(C(=C2)C)C)[O-])C(F)(F)F

Isomeric SMILES

CCC(=O)C1=C(N(C2=C([N+]1=O)C=C(C(=C2)C)C)[O-])C(F)(F)F

InChI

InChI=1S/C14H13F3N2O3/c1-4-11(20)12-13(14(15,16)17)19(22)10-6-8(3)7(2)5-9(10)18(12)21/h5-6H,4H2,1-3H3