[3-(5-bromanylpyridin-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate

Systemtic Name: [3-(5-bromanylpyridin-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate Openeye Name: [3-(5-bromo-2-pyridyl)-4,5-dihydroisoxazol-5-yl]methyl butanoate CAS Name: butanoic acid [3-(5-bromo-2-pyridinyl)-4,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [3-(5-bromopyridin-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate Traditional Name: butyric acid [3-(5-bromo-2-pyridyl)-2-isoxazolin-5-yl]methyl ester Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1CC(=NO1)C2=NC=C(C=C2)Br

Isomeric SMILES

CCCC(=O)OCC1CC(=NO1)C2=NC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN2O3/c1-2-3-13(17)18-8-10-6-12(16-19-10)11-5-4-9(14)7-15-11/h4-5,7,10H,2-3,6,8H2,1H3