3-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate Formula: C17H12N2O3 MolecularWeight: 292.28878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CC=CC=C2[N+]3=NOC(=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CC=CC=C2[N+]3=NOC(=C3)[O-]

InChI

InChI=1S/C17H12N2O3/c1-21-15-10-7-13(8-11-15)6-9-14-4-2-3-5-16(14)19-12-17(20)22-18-19/h2-5,7-8,10-12H,1H3