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

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 1-benzofuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] benzofuran-2-carboxylate CAS Name: 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] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2)OC)/C#N

InChI

InChI=1S/C22H17NO6/c1-3-27-21(24)16(13-23)10-14-8-9-18(19(11-14)26-2)29-22(25)20-12-15-6-4-5-7-17(15)28-20/h4-12H,3H2,1-2H3/b16-10+