Entacapone

Molecular structure via molpic based on CDK

Physical properties []
Molecular mass	305.29 g/mol [1]
Appearance	Crystals from acetic acid + hydrochloric acid [1]
Melting point	162-163 °C [1]
Predicted LogP	2.1 [1]

Structural Identifiers []
Molecular formula	C14H15N3O5 [1]
IUPAC name	(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide [1]
SMILES	CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N [1]
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+ [1]
InChIKey	JRURYQJSLYLRLN-BJMVGYQFSA-N [1]

Entacapone

Entacapone (also known as Comtan, Comtess, Entacapona, Entacaponum, OR-611, Entacom, Entacapone teva, Entacapone orion, OR 611 or (E)-Entacapone)

Chemistry