CHEBI:84017 - (R,R)-fenoxanil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R,R)-fenoxanil
ChEBI ID CHEBI:84017
ChEBI ASCII Name (R,R)-fenoxanil
Definition The 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 (R)-2-amino-2,3-dimethylbutanenitrile.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H18Cl2N2O2
Net Charge 0
Average Mass 329.22200
Monoisotopic Mass 328.07453
InChI InChI=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
InChIKey IUOKJNROJISWRO-BMIGLBTASA-N
SMILES CC(C)[C@@](C)(NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C#N
ChEBI Ontology
Outgoing (R,R)-fenoxanil (CHEBI:84017) is a N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (CHEBI:84016)
(R,R)-fenoxanil (CHEBI:84017) is enantiomer of (S,S)-fenoxanil (CHEBI:84019)
Incoming fenoxanil (CHEBI:81800) has part (R,R)-fenoxanil (CHEBI:84017)
(S,S)-fenoxanil (CHEBI:84019) is enantiomer of (R,R)-fenoxanil (CHEBI:84017)
IUPAC Name
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dichlorophenoxy)propanamide
Last Modified
05 December 2014