(4-methylphenyl) 5-bromanyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: (4-methylphenyl) 5-bromanyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: p-tolyl 5-bromo-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 5-bromo-2,3-dihydrobenzofuran-7-carboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 5-bromo-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 5-bromocoumaran-7-carboxylic acid p-tolyl ester Formula: C16H13BrO3 MolecularWeight: 333.17662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CC(=CC3=C2OCC3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC(=CC3=C2OCC3)Br

InChI

InChI=1S/C16H13BrO3/c1-10-2-4-13(5-3-10)20-16(18)14-9-12(17)8-11-6-7-19-15(11)14/h2-5,8-9H,6-7H2,1H3