3-[3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1C3=NOC(=N3)CCC(=O)O)OCO2)OC

Isomeric SMILES

COC1=C(C2=C(C=C1C3=NOC(=N3)CCC(=O)O)OCO2)OC

InChI

InChI=1S/C14H14N2O7/c1-19-11-7(5-8-12(13(11)20-2)22-6-21-8)14-15-9(23-16-14)3-4-10(17)18/h5H,3-4,6H2,1-2H3,(H,17,18)