3-(4-methylphenyl)-1-oxidanidyl-4-oxidanylidene-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile

Systemtic Name: 3-(4-methylphenyl)-1-oxidanidyl-4-oxidanylidene-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile Openeye Name: 1-oxido-4-oxo-3-(p-tolyl)-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile CAS Name: 3-(4-methylphenyl)-1-oxido-4-oxo-7-(trifluoromethyl)-2-quinoxalin-4-iumcarbonitrile IUPAC Name: 3-(4-methylphenyl)-1-oxido-4-oxo-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile Traditional Name: 4-keto-1-oxido-3-(p-tolyl)-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile Formula: C17H10F3N3O2 MolecularWeight: 345.27541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C#N

InChI

InChI=1S/C17H10F3N3O2/c1-10-2-4-11(5-3-10)16-15(9-21)22(24)14-8-12(17(18,19)20)6-7-13(14)23(16)25/h2-8H,1H3