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CHEBI:51926 - ethyl phenylcyanoacetate

ChEBI IDCHEBI:51926
ChEBI Nameethyl phenylcyanoacetate
Stars
DefinitionAn α-substituted cyanoacetate ester that consists of ethyl cyanoacetate bearing an α-phenyl substituent.
Last Modified2 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H11NO2
Net Charge0
Average Mass189.214
Monoisotopic Mass189.07898
SMILESCCOC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3
InChIKeySXIRJEDGTAKGKU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl phenylcyanoacetate (CHEBI:51926) is a ethyl ester (CHEBI:23990)
ethyl phenylcyanoacetate (CHEBI:51926) is a α-substituted cyanoacetate ester (CHEBI:51890)
IUPAC Name 
ethyl cyano(phenyl)acetate
Synonyms  Source
α-cyanobenzeneacetic acid, ethyl esterChemIDplus
Ethyl α-cyanophenylacetateNIST Chemistry WebBook
Phenylcyanoacetic acid ethyl esterNIST Chemistry WebBook
Ethyl 2-cyano-2-phenylacetateNIST Chemistry WebBook
Ethyl α-cyano-α-phenylacetateNIST Chemistry WebBook
Registry NumbersSources
Reaxys:611232Reaxys
CAS:4553-07-5ChemIDplus
CAS:4553-07-5NIST Chemistry WebBook