diethyl 2-[6-(1-benzofuran-2-yl)-3-cyano-2-oxidanylidene-pyran-4-yl]propanedioate

Systemtic Name: diethyl 2-[6-(1-benzofuran-2-yl)-3-cyano-2-oxidanylidene-pyran-4-yl]propanedioate Openeye Name: diethyl 2-[6-(benzofuran-2-yl)-3-cyano-2-oxo-pyran-4-yl]propanedioate CAS Name: 2-[6-(2-benzofuranyl)-3-cyano-2-oxo-4-pyranyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[6-(1-benzofuran-2-yl)-3-cyano-2-oxopyran-4-yl]propanedioate Traditional Name: 2-[6-(benzofuran-2-yl)-3-cyano-2-keto-pyran-4-yl]malonic acid diethyl ester Formula: C21H17NO7 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO7/c1-3-26-20(24)18(21(25)27-4-2)13-10-17(29-19(23)14(13)11-22)16-9-12-7-5-6-8-15(12)28-16/h5-10,18H,3-4H2,1-2H3