methyl 4-[3-cyano-4-oxidanidyl-1-oxidanylidene-6-(trifluoromethyl)quinoxalin-1-ium-2-yl]benzoate

Systemtic Name: methyl 4-[3-cyano-4-oxidanidyl-1-oxidanylidene-6-(trifluoromethyl)quinoxalin-1-ium-2-yl]benzoate Openeye Name: methyl 4-[3-cyano-4-oxido-1-oxo-6-(trifluoromethyl)quinoxalin-1-ium-2-yl]benzoate CAS Name: 4-[3-cyano-4-oxido-1-oxo-6-(trifluoromethyl)-2-quinoxalin-1-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-cyano-4-oxido-1-oxo-6-(trifluoromethyl)quinoxalin-1-ium-2-yl]benzoate Traditional Name: 4-[3-cyano-1-keto-4-oxido-6-(trifluoromethyl)quinoxalin-1-ium-2-yl]benzoic acid methyl ester Formula: C18H10F3N3O4 MolecularWeight: 389.28491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=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/C18H10F3N3O4/c1-28-17(25)11-4-2-10(3-5-11)16-15(9-22)23(26)14-8-12(18(19,20)21)6-7-13(14)24(16)27/h2-8H,1H3