ethyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxo-butanoate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxobutanoate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-3-keto-butyric acid ethyl ester Formula: C13H13ClO5 MolecularWeight: 284.69232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC1=CC2=C(C=C1Cl)OCO2

Isomeric SMILES

CCOC(=O)CC(=O)CC1=CC2=C(C=C1Cl)OCO2

InChI

InChI=1S/C13H13ClO5/c1-2-17-13(16)5-9(15)3-8-4-11-12(6-10(8)14)19-7-18-11/h4,6H,2-3,5,7H2,1H3