4-[2-(4-nitrophenyl)ethynyl]benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-(4-nitrophenyl)ethynyl]benzene-1,2-dicarbonitrile Openeye Name: 4-[2-(4-nitrophenyl)ethynyl]phthalonitrile CAS Name: 4-[2-(4-nitrophenyl)ethynyl]benzene-1,2-dicarbonitrile IUPAC Name: 4-[2-(4-nitrophenyl)ethynyl]benzene-1,2-dicarbonitrile Traditional Name: 4-[2-(4-nitrophenyl)ethynyl]phthalonitrile Formula: C16H7N3O2 MolecularWeight: 273.24568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC(=C(C=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC(=C(C=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H7N3O2/c17-10-14-6-3-13(9-15(14)11-18)2-1-12-4-7-16(8-5-12)19(20)21/h3-9H