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

Systemtic Name: 3-(4-methoxyphenyl)-1-oxidanidyl-4-oxidanylidene-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile Openeye Name: 3-(4-methoxyphenyl)-1-oxido-4-oxo-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile CAS Name: 3-(4-methoxyphenyl)-1-oxido-4-oxo-7-(trifluoromethyl)-2-quinoxalin-4-iumcarbonitrile IUPAC Name: 3-(4-methoxyphenyl)-1-oxido-4-oxo-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile Traditional Name: 4-keto-3-(4-methoxyphenyl)-1-oxido-7-(trifluoromethyl)quinoxalin-4-ium-2-carbonitrile Formula: C17H10F3N3O3 MolecularWeight: 361.27481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C#N

Isomeric SMILES

COC1=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/C17H10F3N3O3/c1-26-12-5-2-10(3-6-12)16-15(9-21)22(24)14-8-11(17(18,19)20)4-7-13(14)23(16)25/h2-8H,1H3