3-[(4-ethoxy-3-methoxy-phenyl)methyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[(4-ethoxy-3-methoxy-phenyl)methyl]oxadiazol-3-ium-5-olate CAS Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[(4-ethoxy-3-methoxyphenyl)methyl]oxadiazol-3-ium-5-olate Traditional Name: 3-(4-ethoxy-3-methoxy-benzyl)oxadiazol-3-ium-5-olate Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[N+]2=NOC(=C2)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[N+]2=NOC(=C2)[O-])OC

InChI

InChI=1S/C12H14N2O4/c1-3-17-10-5-4-9(6-11(10)16-2)7-14-8-12(15)18-13-14/h4-6,8H,3,7H2,1-2H3