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

Systemtic Name: 1-oxidanidyl-4-oxidanyl-7-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-1-oxido-7-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-1-oxido-7-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-1-oxido-7-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: [4-hydroxy-1-oxido-7-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-ylidene]amine Formula: C14H9F3N4O2 MolecularWeight: 322.24207

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(C=C2)N(C(=N)N=[N+]3[O-])O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(C=C2)N(C(=N)N=[N+]3[O-])O)C(F)(F)F

InChI

InChI=1S/C14H9F3N4O2/c15-14(16,17)10-4-1-8(2-5-10)9-3-6-11-12(7-9)21(23)19-13(18)20(11)22/h1-7,18,22H