[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3-bromanylpropanoate

Systemtic Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3-bromanylpropanoate Openeye Name: [5-(p-tolyl)isoxazol-3-yl]methyl 3-bromopropanoate CAS Name: 3-bromopropanoic acid [5-(4-methylphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3-bromopropanoate Traditional Name: 3-bromopropionic acid [5-(p-tolyl)isoxazol-3-yl]methyl ester Formula: C14H14BrNO3 MolecularWeight: 324.16986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CCBr

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CCBr

InChI

InChI=1S/C14H14BrNO3/c1-10-2-4-11(5-3-10)13-8-12(16-19-13)9-18-14(17)6-7-15/h2-5,8H,6-7,9H2,1H3