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

Systemtic Name: 1-[6,7-bis(fluoranyl)-4-oxidanidyl-1-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Openeye Name: 1-[6,7-difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one CAS Name: 1-[6,7-difluoro-4-oxido-1-oxo-3-(trifluoromethyl)-2-quinoxalin-1-iumyl]-1-propanone IUPAC Name: 1-[6,7-difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Traditional Name: 1-[6,7-difluoro-1-keto-4-oxido-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one Formula: C12H7F5N2O3 MolecularWeight: 322.187596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7F5N2O3/c1-2-9(20)10-11(12(15,16)17)19(22)8-4-6(14)5(13)3-7(8)18(10)21/h3-4H,2H2,1H3