1-oxidanidyl-4-oxidanyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 1-oxidanidyl-4-oxidanyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-1-oxido-N-(3-pyridyl)-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-1-oxido-N-(3-pyridinyl)-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-1-oxido-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)-(3-pyridyl)amine Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=NC3=CN=CC=C3)N=[N+]2[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=NC3=CN=CC=C3)N=[N+]2[O-])O

InChI

InChI=1S/C12H9N5O2/c18-16-10-5-1-2-6-11(10)17(19)15-12(16)14-9-4-3-7-13-8-9/h1-8,18H