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

Systemtic Name: 6-chloranyl-1-oxidanidyl-4-oxidanyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 6-chloro-4-hydroxy-1-oxido-N-(3-pyridyl)-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 6-chloro-4-hydroxy-1-oxido-N-(3-pyridinyl)-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 6-chloro-4-hydroxy-1-oxido-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)-(3-pyridyl)amine Formula: C12H8ClN5O2 MolecularWeight: 289.67722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N=C2N=[N+](C3=C(N2O)C=C(C=C3)Cl)[O-]

Isomeric SMILES

C1=CC(=CN=C1)N=C2N=[N+](C3=C(N2O)C=C(C=C3)Cl)[O-]

InChI

InChI=1S/C12H8ClN5O2/c13-8-3-4-10-11(6-8)17(19)12(16-18(10)20)15-9-2-1-5-14-7-9/h1-7,19H