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CHEBI:84018 - (R,S)-fenoxanil

ChEBI IDCHEBI:84018
ChEBI Name(R,S)-fenoxanil
Stars
ASCII Name(R,S)-fenoxanil
DefinitionThe stereoisomer of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (R)-2-(2,4-dichlorophenoxy)propanoic acid with the amino group of (S)-2-amino-2,3-dimethylbutanenitrile.
Last Modified5 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC15H18Cl2N2O2
Net Charge0
Average Mass329.227
Monoisotopic Mass328.07453
SMILESCC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)/t10-,15-/m1/s1
InChIKeyIUOKJNROJISWRO-MEBBXXQBSA-N
ChEBI Ontology
Outgoing Relation(s)
(R,S)-fenoxanil (CHEBI:84018) is a N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (CHEBI:84016)
(R,S)-fenoxanil (CHEBI:84018) is enantiomer of (S,R)-fenoxanil (CHEBI:84020)
Incoming Relation(s)
fenoxanil (CHEBI:81800) has part (R,S)-fenoxanil (CHEBI:84018)
(S,R)-fenoxanil (CHEBI:84020) is enantiomer of (R,S)-fenoxanil (CHEBI:84018)
IUPAC Name 
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dichlorophenoxy)propanamide