Products 857629-78-8
CAS 857629-78-8 appears in our catalog under these names: Entacapone Impurity 70, Entacapone Impurity 21, Entacapone Impurity 11, (E)-3-O-Methyl Entacapone. Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1g.
3-O-methylentacapone is 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. It is a nitrile, a monocarboxylic acid amide, an aromatic ether and a member of 2-nitrophenols. It is functionally related to an entacapone and a 5-nitrovanillin.
Source: ChEBI
| Molecular formula | C15H17N3O5 |
|---|---|
| Molecular weight | 319.31 g/mol |
| IUPAC name | (E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide |
| InChIKey | MAZRYCCTAIVEQP-IZZDOVSWSA-N |
| SMILES | CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])/C#N |
Computed by PubChem (NCBI)
Synonyms:
3-O-methylentacapone, (E)-3-O-Methyl Entacapone, Entacapone 3-Methyl Ether, (E/Z)-3-O-Methyl Entacapone, (E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide, Entacapone Impurity 70, (2E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide, (E)-2-Cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)acrylamide, 2-Propenamide, 2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-, (2E)-, N,N-diethyl-2-cyano-3-(-3-methoxy-4-hydroxy-5-nitrophenyl)acrylamide