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

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H16BrNO6 MolecularWeight: 470.26954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC3=C(O2)C=CC(=C3)Br)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrNO6/c1-3-28-21(25)15(12-24)8-13-4-6-18(19(9-13)27-2)30-22(26)20-11-14-10-16(23)5-7-17(14)29-20/h4-11H,3H2,1-2H3/b15-8+