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

Systemtic Name: 1-oxidanidyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-N-(3-pyridyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-N-(3-pyridinyl)-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(3-pyridyl)amine Formula: C12H9N5O MolecularWeight: 239.23276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5O/c18-17-11-6-2-1-5-10(11)15-12(16-17)14-9-4-3-7-13-8-9/h1-8H,(H,14,15,16)