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

Systemtic Name: [4-[2-(4-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenyl] 1-benzofuran-2-carboxylate Openeye Name: [4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C25H16ClNO4 MolecularWeight: 429.85184

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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=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)Cl)OC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H16ClNO4/c1-29-23-13-16(12-19(15-27)17-7-9-20(26)10-8-17)6-11-22(23)31-25(28)24-14-18-4-2-3-5-21(18)30-24/h2-14H,1H3