4-[(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]benzenecarbonitrile

Systemtic Name: 4-[(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]benzenecarbonitrile Openeye Name: 4-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]benzonitrile CAS Name: 4-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]benzonitrile IUPAC Name: 4-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]benzonitrile Traditional Name: 4-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]benzonitrile Formula: C14H9N5O2 MolecularWeight: 279.25356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N5O2/c15-9-10-5-7-11(8-6-10)16-14-17-19(21)13-4-2-1-3-12(13)18(14)20/h1-8,20H