diethyl 2-[2-(1,3-benzodioxol-5-ylcarbonyl)phenyl]carbonylpropanedioate

Systemtic Name: diethyl 2-[2-(1,3-benzodioxol-5-ylcarbonyl)phenyl]carbonylpropanedioate Openeye Name: diethyl 2-[2-(1,3-benzodioxole-5-carbonyl)benzoyl]propanedioate CAS Name: 2-[[2-[1,3-benzodioxol-5-yl(oxo)methyl]phenyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(1,3-benzodioxole-5-carbonyl)benzoyl]propanedioate Traditional Name: 2-(2-piperonyloylbenzoyl)malonic acid diethyl ester Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C22H20O8/c1-3-27-21(25)18(22(26)28-4-2)20(24)15-8-6-5-7-14(15)19(23)13-9-10-16-17(11-13)30-12-29-16/h5-11,18H,3-4,12H2,1-2H3