4-(4-oxidanylidenequinazolin-3-yl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)benzene-1,2-dicarbonitrile Openeye Name: 4-(4-oxoquinazolin-3-yl)phthalonitrile CAS Name: 4-(4-oxo-3-quinazolinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile Traditional Name: 4-(4-ketoquinazolin-3-yl)phthalonitrile Formula: C16H8N4O MolecularWeight: 272.26092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H8N4O/c17-8-11-5-6-13(7-12(11)9-18)20-10-19-15-4-2-1-3-14(15)16(20)21/h1-7,10H