3-(benzotriazol-1-ylcarbonyl)benzenecarbonitrile

Systemtic Name: 3-(benzotriazol-1-ylcarbonyl)benzenecarbonitrile Openeye Name: 3-(benzotriazole-1-carbonyl)benzonitrile CAS Name: 3-[1-benzotriazolyl(oxo)methyl]benzonitrile IUPAC Name: 3-(benzotriazole-1-carbonyl)benzonitrile Traditional Name: 3-(benzotriazole-1-carbonyl)benzonitrile Formula: C14H8N4O MolecularWeight: 248.23952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C14H8N4O/c15-9-10-4-3-5-11(8-10)14(19)18-13-7-2-1-6-12(13)16-17-18/h1-8H