(4-cyanophenyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-cyanophenyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-cyanophenyl) 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-cyanophenyl) ester Formula: C17H10BrNO3 MolecularWeight: 356.1702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H10BrNO3/c1-10-14-8-12(18)4-7-15(14)22-16(10)17(20)21-13-5-2-11(9-19)3-6-13/h2-8H,1H3