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

Systemtic Name: 1-[4-oxidanidyl-1-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Openeye Name: 1-[4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one CAS Name: 1-[4-oxido-1-oxo-3-(trifluoromethyl)-2-quinoxalin-1-iumyl]-1-propanone IUPAC Name: 1-[4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Traditional Name: 1-[1-keto-4-oxido-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Formula: C12H9F3N2O3 MolecularWeight: 286.20667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O3/c1-2-9(18)10-11(12(13,14)15)17(20)8-6-4-3-5-7(8)16(10)19/h3-6H,2H2,1H3