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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 1-benzofuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H18N2O6 MolecularWeight: 442.42022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H18N2O6/c1-30-22-12-16(11-18(14-26)24(28)27-15-19-6-4-10-31-19)8-9-21(22)33-25(29)23-13-17-5-2-3-7-20(17)32-23/h2-13H,15H2,1H3,(H,27,28)/b18-11+