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

Systemtic Name: 3-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3=NOC(=N3)CCC(=O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C3=NOC(=N3)CCC(=O)O

InChI

InChI=1S/C13H12N2O6/c1-18-8-4-7(5-9-12(8)20-6-19-9)13-14-10(21-15-13)2-3-11(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)