4-[(4-oxidanylidenecinnolin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-oxidanylidenecinnolin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-oxocinnolin-1-yl)methyl]benzonitrile CAS Name: 4-[(4-oxo-1-cinnolinyl)methyl]benzonitrile IUPAC Name: 4-[(4-oxocinnolin-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-ketocinnolin-1-yl)methyl]benzonitrile Formula: C16H11N3O MolecularWeight: 261.27804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=NN2CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=NN2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N3O/c17-9-12-5-7-13(8-6-12)11-19-15-4-2-1-3-14(15)16(20)10-18-19/h1-8,10H,11H2