diethyl 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]propanedioate Openeye Name: diethyl 2-[(E)-3-(1,3-benzodioxol-5-yl)allyl]propanedioate CAS Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]propanedioate Traditional Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)allyl]malonic acid diethyl ester Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC1=CC2=C(C=C1)OCO2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C/C1=CC2=C(C=C1)OCO2)C(=O)OCC

InChI

InChI=1S/C17H20O6/c1-3-20-16(18)13(17(19)21-4-2)7-5-6-12-8-9-14-15(10-12)23-11-22-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3/b6-5+