benzene-1,2-dicarbonitrile; 1,2-dinitrobenzene

Systemtic Name: benzene-1,2-dicarbonitrile; 1,2-dinitrobenzene Openeye Name: 1,2-dinitrobenzene; phthalonitrile CAS Name: benzene-1,2-dicarbonitrile; 1,2-dinitrobenzene IUPAC Name: benzene-1,2-dicarbonitrile; 1,2-dinitrobenzene Traditional Name: 1,2-dinitrobenzene; phthalonitrile Formula: C14H8N4O4 MolecularWeight: 296.23772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C#N.C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C#N.C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H4N2.C6H4N2O4/c9-5-7-3-1-2-4-8(7)6-10;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H;1-4H