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

Systemtic Name: 3-[3-(3-chloranyl-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-(3-chloro-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-(3-chloro-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C13H13ClN2O5 MolecularWeight: 312.70572

Click to see the large picture

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)