ethyl 2-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)-4-oxo-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)-4-oxobutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)-4-keto-butyric acid ethyl ester Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)C(C=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)C(C=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17NO5/c1-2-24-20(23)19(15-7-8-17-18(9-15)26-12-25-17)16(11-22)14-5-3-13(10-21)4-6-14/h3-9,11,16,19H,2,12H2,1H3