3-[3-(3-chloranyl-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]propanoate

Systemtic Name: 3-[3-(3-chloranyl-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: 3-[3-(3-chloro-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate IUPAC Name: 3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate Traditional Name: 3-[3-(3-chloro-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]propionate Formula: C13H12ClN2O5- MolecularWeight: 311.69778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NOC(=N2)CCC(=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NOC(=N2)CCC(=O)[O-])Cl)OC

InChI

InChI=1S/C13H13ClN2O5/c1-19-9-6-7(5-8(14)12(9)20-2)13-15-10(21-16-13)3-4-11(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)/p-1