1-oxidanidyl-6-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 1-oxidanidyl-6-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-6-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-6-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-6-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [1-oxido-6-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-yl]amine Formula: C8H5F3N4O MolecularWeight: 230.14671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(N=[N+]2[O-])N

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(N=[N+]2[O-])N

InChI

InChI=1S/C8H5F3N4O/c9-8(10,11)4-1-2-6-5(3-4)13-7(12)14-15(6)16/h1-3H,(H2,12,13,14)