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

Systemtic Name: 4-[(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)amino]benzenecarbonitrile Openeye Name: 4-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]benzonitrile CAS Name: 4-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]benzonitrile IUPAC Name: 4-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]benzonitrile Traditional Name: 4-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]benzonitrile Formula: C14H9N5O MolecularWeight: 263.25416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N5O/c15-9-10-5-7-11(8-6-10)16-14-17-12-3-1-2-4-13(12)19(20)18-14/h1-8H,(H,16,17,18)