1-oxidanidyl-8-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 1-oxidanidyl-8-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-8-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-8-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-8-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [1-oxido-8-(trifluoromethyl)-1,2,4-benzotriazin-1-ium-3-yl]amine Formula: C8H5F3N4O MolecularWeight: 230.14671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N=C(N=[N+]2[O-])N)C(F)(F)F

Isomeric SMILES

C1=CC(=C2C(=C1)N=C(N=[N+]2[O-])N)C(F)(F)F

InChI

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