diethyl 2-(1-methyl-3-oxidanylidene-2-benzofuran-1-yl)propanedioate

Systemtic Name: diethyl 2-(1-methyl-3-oxidanylidene-2-benzofuran-1-yl)propanedioate Openeye Name: diethyl 2-(1-methyl-3-oxo-isobenzofuran-1-yl)propanedioate CAS Name: 2-(1-methyl-3-oxo-1-isobenzofuranyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-methyl-3-oxo-2-benzofuran-1-yl)propanedioate Traditional Name: 2-(3-keto-1-methyl-phthalan-1-yl)malonic acid diethyl ester Formula: C16H18O6 MolecularWeight: 306.31052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)C1(C2=CC=CC=C2C(=O)O1)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)C1(C2=CC=CC=C2C(=O)O1)C

InChI

InChI=1S/C16H18O6/c1-4-20-14(18)12(15(19)21-5-2)16(3)11-9-7-6-8-10(11)13(17)22-16/h6-9,12H,4-5H2,1-3H3