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

Systemtic Name: [4-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 1-benzofuran-2-carboxylate Openeye Name: [4-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)-2-methoxy-phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [4-(2-cyano-3-keto-3-methoxy-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C21H15NO6 MolecularWeight: 377.3469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H15NO6/c1-25-18-10-13(9-15(12-22)20(23)26-2)7-8-17(18)28-21(24)19-11-14-5-3-4-6-16(14)27-19/h3-11H,1-2H3