[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H16BrN3O6 MolecularWeight: 450.24014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H16BrN3O6/c1-24-13-5-10(6-14(25-2)16(13)26-3)17-22-21-15(28-17)9-27-18(23)11-4-12(19)8-20-7-11/h4-8H,9H2,1-3H3