[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl 3-bromanylpropanoate

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl 3-bromanylpropanoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-6-yl)isoxazol-3-yl]methyl 3-bromopropanoate CAS Name: 3-bromopropanoic acid [5-(2-methyl-2,3-dihydrobenzofuran-6-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl 3-bromopropanoate Traditional Name: 3-bromopropionic acid [5-(2-methylcoumaran-6-yl)isoxazol-3-yl]methyl ester Formula: C16H16BrNO4 MolecularWeight: 366.20654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)CCBr

Isomeric SMILES

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)CCBr

InChI

InChI=1S/C16H16BrNO4/c1-10-6-11-2-3-12(7-14(11)21-10)15-8-13(18-22-15)9-20-16(19)4-5-17/h2-3,7-8,10H,4-6,9H2,1H3