(2-methylphenyl) 5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: (2-methylphenyl) 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: o-tolyl 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid o-tolyl ester Formula: C16H11BrO3 MolecularWeight: 331.16074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C16H11BrO3/c1-10-4-2-3-5-13(10)20-16(18)15-9-11-8-12(17)6-7-14(11)19-15/h2-9H,1H3