(2-bromanyl-4-methyl-phenyl) 1-benzofuran-2-carboxylate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 1-benzofuran-2-carboxylate Openeye Name: (2-bromo-4-methyl-phenyl) benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid (2-bromo-4-methyl-phenyl) ester Formula: C16H11BrO3 MolecularWeight: 331.16074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2)Br

InChI

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