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

Systemtic Name: 2-[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]phenyl]benzonitrile Formula: C21H14N4O MolecularWeight: 338.36206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H14N4O/c22-13-17-5-1-2-6-18(17)16-11-9-15(10-12-16)14-25-21(26)19-7-3-4-8-20(19)23-24-25/h1-12H,14H2