1-oxidanidyl-4-oxidanyl-6-phenyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 1-oxidanidyl-4-oxidanyl-6-phenyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-1-oxido-6-phenyl-N-(3-pyridyl)-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-1-oxido-6-phenyl-N-(3-pyridinyl)-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-1-oxido-6-phenyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (4-hydroxy-1-oxido-6-phenyl-1,2,4-benzotriazin-1-ium-3-ylidene)-(3-pyridyl)amine Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](=NC(=NC4=CN=CC=C4)N3O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](=NC(=NC4=CN=CC=C4)N3O)[O-]

InChI

InChI=1S/C18H13N5O2/c24-22-17-11-14(13-5-2-1-3-6-13)8-9-16(17)23(25)21-18(22)20-15-7-4-10-19-12-15/h1-12,24H