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

Systemtic Name: (4-cyanophenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-cyanobenzyl) ester Formula: C18H12BrNO3 MolecularWeight: 370.19678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrNO3/c1-11-15-8-14(19)6-7-16(15)23-17(11)18(21)22-10-13-4-2-12(9-20)3-5-13/h2-8H,10H2,1H3