CHEBI:48380 - 3-O-ethylentacapone

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ChEBI Name 3-O-ethylentacapone ChEBI ID CHEBI:48380 ChEBI ASCII Name 3-O-ethylentacapone Definition A C-nitro compound that is entacapone in which the phenolic hydroxy group that is meta to the nitro group has been converted into the corresponding ethyl ether. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H19N3O5 Net Charge 0 Average Mass 333.33928 Monoisotopic Mass 333.13247 InChI 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 SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)\C=C(/C#N)C(=O)N(CC)CC ChEBI Ontology Outgoing 3-O-ethylentacapone (CHEBI:48380) has functional parent 5-nitrovanillin (CHEBI:48385) 3-O-ethylentacapone (CHEBI:48380) has functional parent entacapone (CHEBI:4798) 3-O-ethylentacapone (CHEBI:48380) is a 2-nitrophenols (CHEBI:86421) 3-O-ethylentacapone (CHEBI:48380) is a aromatic ether (CHEBI:35618) 3-O-ethylentacapone (CHEBI:48380) is a monocarboxylic acid amide (CHEBI:29347) 3-O-ethylentacapone (CHEBI:48380) is a nitrile (CHEBI:18379) IUPAC Name (2E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide Synonym Source N,N-diethyl-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)acrylamide Patent Manual Xref Database WO2005063693 Patent View more database links Registry Number Type Source 14426074 Reaxys Registry Number Reaxys Last Modified 28 April 2020