(3-chlorophenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (3-chlorophenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-chlorophenyl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (3-chlorobenzyl) ester Formula: C17H12BrClO3 MolecularWeight: 379.63238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H12BrClO3/c1-10-14-8-12(18)5-6-15(14)22-16(10)17(20)21-9-11-3-2-4-13(19)7-11/h2-8H,9H2,1H3