diethyl 2-[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-pyridin-2-yl-propyl]propanedioate

Systemtic Name: diethyl 2-[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-pyridin-2-yl-propyl]propanedioate Openeye Name: diethyl 2-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-pyridyl)propyl]propanedioate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-pyridinyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-pyridin-2-ylpropyl]propanedioate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-3-keto-3-(2-pyridyl)propyl]malonic acid diethyl ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)C1=CC=CC=N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CC(=O)C1=CC=CC=N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C22H23NO7/c1-3-27-21(25)20(22(26)28-4-2)15(12-17(24)16-7-5-6-10-23-16)14-8-9-18-19(11-14)30-13-29-18/h5-11,15,20H,3-4,12-13H2,1-2H3