3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzonitrile CAS Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzonitrile IUPAC Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzonitrile Traditional Name: 3-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]benzonitrile Formula: C15H10N4O MolecularWeight: 262.2661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C15H10N4O/c16-9-11-4-3-5-12(8-11)10-19-15(20)13-6-1-2-7-14(13)17-18-19/h1-8H,10H2