benzene-1,3-dicarbonitrile; 2-phenylazanylethanenitrile

Systemtic Name: benzene-1,3-dicarbonitrile; 2-phenylazanylethanenitrile Openeye Name: 2-anilinoacetonitrile; benzene-1,3-dicarbonitrile CAS Name: 2-anilinoacetonitrile; benzene-1,3-dicarbonitrile IUPAC Name: 2-anilinoacetonitrile; benzene-1,3-dicarbonitrile Traditional Name: 2-anilinoacetonitrile; isophthalonitrile Formula: C16H12N4 MolecularWeight: 260.29328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4N2.C8H8N2/c9-5-7-2-1-3-8(4-7)6-10;9-6-7-10-8-4-2-1-3-5-8/h1-4H;1-5,10H,7H2