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CHEBI:51924 - ethyl 2-cyanoacetoacetate

ChEBI IDCHEBI:51924
ChEBI Nameethyl 2-cyanoacetoacetate
Stars
Last Modified2 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H9NO3
Net Charge0
Average Mass155.153
Monoisotopic Mass155.05824
SMILESCCOC(=O)C(C#N)C(C)=O
InChIInChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3
InChIKeyNWOKVFOTWMZMHL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 2-cyanoacetoacetate (CHEBI:51924) is a ethyl ester (CHEBI:23990)
ethyl 2-cyanoacetoacetate (CHEBI:51924) is a α-substituted cyanoacetate ester (CHEBI:51890)
IUPAC Name 
ethyl 2-cyano-3-oxobutanoate
Synonyms  Source
2-cyanoacetoacetic acid ethyl esterChEBI
Ethyl α-cyanoacetoacetateNIST Chemistry WebBook
Registry NumbersSources
Beilstein:1770897Beilstein
CAS:634-55-9ChemIDplus
CAS:634-55-9NIST Chemistry WebBook