1-oxidanidyl-4-oxidanyl-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 1-oxidanidyl-4-oxidanyl-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: [4-hydroxy-1-oxido-7-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-ylidene]amine Formula: C8H5F3N4O2 MolecularWeight: 246.14611

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)[N+](=NC(=N)N2O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)[N+](=NC(=N)N2O)[O-]

InChI

InChI=1S/C8H5F3N4O2/c9-8(10,11)4-1-2-5-6(3-4)15(17)13-7(12)14(5)16/h1-3,12,16H