3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N2O6/c1-23-13-8-12(9-14(24-2)15(13)25-3)17-19-16(20-26-17)10-5-4-6-11(7-10)18(21)22/h4-9H,1-3H3,(H,21,22)