[4-[(Z)-2-(4-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenyl] 5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: [4-[(Z)-2-(4-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenyl] 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: [4-[(Z)-2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid [4-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid [4-[(Z)-2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C25H15BrClNO4 MolecularWeight: 508.7479

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)Cl)OC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl)OC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C25H15BrClNO4/c1-30-23-11-15(10-18(14-28)16-3-6-20(27)7-4-16)2-8-22(23)32-25(29)24-13-17-12-19(26)5-9-21(17)31-24/h2-13H,1H3/b18-10+