[4-oxidanidyl-1-oxidanylidene-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-phenyl-methanone

Systemtic Name: [4-oxidanidyl-1-oxidanylidene-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-phenyl-methanone Openeye Name: [4-oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-phenyl-methanone CAS Name: [4-oxido-1-oxo-3,7-bis(trifluoromethyl)-2-quinoxalin-1-iumyl]-phenylmethanone IUPAC Name: [4-oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-phenylmethanone Traditional Name: [1-keto-4-oxido-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-phenyl-methanone Formula: C17H8F6N2O3 MolecularWeight: 402.247439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H8F6N2O3/c18-16(19,20)10-6-7-11-12(8-10)24(27)13(15(25(11)28)17(21,22)23)14(26)9-4-2-1-3-5-9/h1-8H