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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CON=C2CBr

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2CON=C2CBr

InChI

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