[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxyphenyl] 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C23H18BrNO6 MolecularWeight: 484.29612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)C2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C23H18BrNO6/c1-3-28-20-10-14(9-16(13-25)22(26)29-4-2)5-7-19(20)31-23(27)21-12-15-11-17(24)6-8-18(15)30-21/h5-12H,3-4H2,1-2H3/b16-9+