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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-homoveratryloxadiazol-3-ium-5-olate Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=NOC(=C2)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=NOC(=C2)[O-])OC

InChI

InChI=1S/C12H14N2O4/c1-16-10-4-3-9(7-11(10)17-2)5-6-14-8-12(15)18-13-14/h3-4,7-8H,5-6H2,1-2H3