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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-cyano-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-cyano-3-oxo-butanoate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-cyano-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-cyano-3-oxobutanoate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-cyano-3-keto-butyric acid ethyl ester Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)C(C#N)C(=O)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H13NO5/c1-2-18-14(17)10(7-15)11(16)5-9-3-4-12-13(6-9)20-8-19-12/h3-4,6,10H,2,5,8H2,1H3