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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:3-(4-chloroanilino)-2-(isopropylsulfonyl)acrylonitrile
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Accession:CHEBI:228714 term browser browse the term
Synonyms:exact_synonym: 3-(4-chloroanilino)-2-propan-2-ylsulonylprop-2-enenitrile
 related_synonym: Formula=C12H13ClN2O2S;   InChI=1S/C12H13ClN2O2S/c1-9(2)18(16,17)12(7-14)8-15-11-5-3-10(13)4-6-11/h3-6,8-9,15H,1-2H3;   InChIKey=MJEPGJGSFYYKMR-UHFFFAOYSA-N;   SMILES=ClC1=CC=C(NC=C(S(=O)(=O)C(C)C)C#N)C=C1
 xref: Chemspider:3786653

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              aromatic amine 0
                anilines 0
                  substituted aniline 0
                    3-(4-chloroanilino)-2-(isopropylsulfonyl)acrylonitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        aromatic amine 0
                                          anilines 0
                                            substituted aniline 0
                                              3-(4-chloroanilino)-2-(isopropylsulfonyl)acrylonitrile 0
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