4-[2-(5-nitrofuran-2-yl)ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-(5-nitrofuran-2-yl)ethynyl]benzenecarbonitrile Openeye Name: 4-[2-(5-nitro-2-furyl)ethynyl]benzonitrile CAS Name: 4-[2-(5-nitro-2-furanyl)ethynyl]benzonitrile IUPAC Name: 4-[2-(5-nitrofuran-2-yl)ethynyl]benzonitrile Traditional Name: 4-[2-(5-nitro-2-furyl)ethynyl]benzonitrile Formula: C13H6N2O3 MolecularWeight: 238.19834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC=C(O2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC=C(O2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H6N2O3/c14-9-11-3-1-10(2-4-11)5-6-12-7-8-13(18-12)15(16)17/h1-4,7-8H