Bluedark| Entacapone | |
|---|---|
 | |
| Molecular structure via molpic | |
|
| |
| Molecular formula | C14H15N3O5 |
| Molecular mass | 305.29 g/mol |
| Appearance | Crystals from acetic acid + hydrochloric acid |
| Predicted LogP | 2.1 |
| Melting point | 162-163 °C |
| Chirality | achiral |
| Identifiers [] | |
|---|---|
| IUPAC name | (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide |
| SMILES | CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N |
| InChI | InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ |
| InChIKey | JRURYQJSLYLRLN-BJMVGYQFSA-N |
Entacapone
Entacapone (also known as Comtan, Comtess, Entacapona, Entacaponum, OR-611, Entacom, Entacapone teva, Entacapone orion, OR 611 or (E)-Entacapone)