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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H12BrN3O3 MolecularWeight: 374.18878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C16H12BrN3O3/c1-10-4-2-3-5-13(10)15-19-14(23-20-15)9-22-16(21)11-6-12(17)8-18-7-11/h2-8H,9H2,1H3