diethyl 3-(1,3-benzodioxol-5-yl)-3-cyano-pentanedioate

Systemtic Name: diethyl 3-(1,3-benzodioxol-5-yl)-3-cyano-pentanedioate Openeye Name: diethyl 3-(1,3-benzodioxol-5-yl)-3-cyano-pentanedioate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-cyanopentanedioic acid diethyl ester IUPAC Name: diethyl 3-(1,3-benzodioxol-5-yl)-3-cyanopentanedioate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-cyano-glutaric acid diethyl ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)OCC)(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)CC(CC(=O)OCC)(C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H19NO6/c1-3-21-15(19)8-17(10-18,9-16(20)22-4-2)12-5-6-13-14(7-12)24-11-23-13/h5-7H,3-4,8-9,11H2,1-2H3