3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-(3,4,5-trimethoxyphenyl)ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-(3,4,5-trimethoxyphenyl)ethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-(3,4,5-trimethoxyphenyl)ethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-(3,4,5-trimethoxyphenyl)ethyl]oxadiazol-3-ium-5-olate Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC[N+]2=NOC(=C2)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC[N+]2=NOC(=C2)[O-]

InChI

InChI=1S/C13H16N2O5/c1-17-10-6-9(7-11(18-2)13(10)19-3)4-5-15-8-12(16)20-14-15/h6-8H,4-5H2,1-3H3