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ONTOLOGY REPORT - ANNOTATIONS


Term:3-O-ethylentacapone
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Accession:CHEBI:48380 term browser browse the term
Definition:A C-nitro compound that is entacapone in which the phenolic hydroxy group that is meta to the nitro group has been converted to the corresponding ethyl ether.
Synonyms:exact_synonym: (2E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
 related_synonym: Formula=C16H19N3O5;   InChI=1S/C16H19N3O5/c1-4-18(5-2)16(21)12(10-17)7-11-8-13(19(22)23)15(20)14(9-11)24-6-3/h7-9,20H,4-6H2,1-3H3/b12-7+;   InChIKey=FGJZUPPLPIHQSE-KPKJPENVSA-N;   N,N-diethyl-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)acrylamide;   SMILES=CCOc1cc(cc(c1O)[N+]([O-])=O)\\C=C(/C#N)C(=O)N(CC)CC
 xref: Patent:WO2005063693;   Reaxys:14426074 "Reaxys"


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19662
    chemical entity 19660
      group 19576
        pseudohalo group 2769
          cyano group 2769
            nitrile 2769
              3-O-ethylentacapone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              organic divalent group 18330
                                organodiyl group 18330
                                  carbonyl group 18217
                                    carbonyl compound 18217
                                      carboxylic acid 17921
                                        carboacyl group 16944
                                          univalent carboacyl group 16944
                                            formyl group 7680
                                              aldehyde 7680
                                                arenecarbaldehyde 123
                                                  benzaldehydes 122
                                                    vanillin 38
                                                      5-nitrovanillin 0
                                                        3-O-ethylentacapone 0
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