4-[2-[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]ethynyl]benzenecarbonitrile Openeye Name: 4-[2-(1,3-dioxoisobenzofuran-5-yl)ethynyl]benzonitrile CAS Name: 4-[2-(1,3-dioxo-5-isobenzofuranyl)ethynyl]benzonitrile IUPAC Name: 4-[2-(1,3-dioxo-2-benzofuran-5-yl)ethynyl]benzonitrile Traditional Name: 4-[2-(1,3-diketophthalan-5-yl)ethynyl]benzonitrile Formula: C17H7NO3 MolecularWeight: 273.24238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC3=C(C=C2)C(=O)OC3=O)C#N

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC3=C(C=C2)C(=O)OC3=O)C#N

InChI

InChI=1S/C17H7NO3/c18-10-13-5-2-11(3-6-13)1-4-12-7-8-14-15(9-12)17(20)21-16(14)19/h2-3,5-9H