CHEBI:48381 - 3-O-methylentacapone

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ChEBI Name 3-O-methylentacapone ChEBI ID CHEBI:48381 ChEBI ASCII Name 3-O-methylentacapone 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 methyl 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 C15H17N3O5 Net Charge 0 Average Mass 319.31270 Monoisotopic Mass 319.11682 InChI InChI=1S/C15H17N3O5/c1-4-17(5-2)15(20)11(9-16)6-10-7-12(18(21)22)14(19)13(8-10)23-3/h6-8,19H,4-5H2,1-3H3/b11-6+ InChIKey MAZRYCCTAIVEQP-IZZDOVSWSA-N SMILES CCN(CC)C(=O)C(\C#N)=C\c1cc(OC)c(O)c(c1)[N+]([O-])=O ChEBI Ontology Outgoing 3-O-methylentacapone (CHEBI:48381) has functional parent 5-nitrovanillin (CHEBI:48385) 3-O-methylentacapone (CHEBI:48381) has functional parent entacapone (CHEBI:4798) 3-O-methylentacapone (CHEBI:48381) is a 2-nitrophenols (CHEBI:86421) 3-O-methylentacapone (CHEBI:48381) is a aromatic ether (CHEBI:35618) 3-O-methylentacapone (CHEBI:48381) is a monocarboxylic acid amide (CHEBI:29347) 3-O-methylentacapone (CHEBI:48381) is a nitrile (CHEBI:18379) IUPAC Name (2E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide Synonym Source N,N-diethyl-2-cyano-3-(-3-methoxy-4-hydroxy-5-nitrophenyl)acrylamide Patent Manual Xref Database WO2005063693 Patent View more database links Registry Number Type Source 14426069 Reaxys Registry Number Reaxys Last Modified 28 April 2020