benzene-1,2-dicarbonitrile; benzene-1,3-dicarbonitrile

Systemtic Name: benzene-1,2-dicarbonitrile; benzene-1,3-dicarbonitrile Openeye Name: benzene-1,3-dicarbonitrile; phthalonitrile CAS Name: benzene-1,2-dicarbonitrile; benzene-1,3-dicarbonitrile IUPAC Name: benzene-1,2-dicarbonitrile; benzene-1,3-dicarbonitrile Traditional Name: isophthalonitrile; phthalonitrile Formula: C16H8N4 MolecularWeight: 256.26152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C#N.C1=CC(=CC(=C1)C#N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C#N.C1=CC(=CC(=C1)C#N)C#N

InChI

InChI=1S/2C8H4N2/c9-5-7-2-1-3-8(4-7)6-10;9-5-7-3-1-2-4-8(7)6-10/h2*1-4H