methyl 4-[5-(bromomethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-(bromomethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate Openeye Name: methyl 4-[5-(bromomethyl)-4,5-dihydroisoxazol-3-yl]benzoate CAS Name: 4-[5-(bromomethyl)-4,5-dihydroisoxazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(bromomethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate Traditional Name: 4-[5-(bromomethyl)-2-isoxazolin-3-yl]benzoic acid methyl ester Formula: C12H12BrNO3 MolecularWeight: 298.13258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NOC(C2)CBr

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NOC(C2)CBr

InChI

InChI=1S/C12H12BrNO3/c1-16-12(15)9-4-2-8(3-5-9)11-6-10(7-13)17-14-11/h2-5,10H,6-7H2,1H3