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

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H14BrN3O3/c1-2-11-3-5-12(6-4-11)16-20-15(24-21-16)10-23-17(22)13-7-14(18)9-19-8-13/h3-9H,2,10H2,1H3