Entacapone
[CAS# 116314-67-1]

Identification

• Name: Entacapone
• Synonyms: 2-Cyano-3-(3,4-Dihydroxy-5-Nitrophenyl)-N,N-Diethylprop-2-Enamide; (E)-2-Cyano-3-(3,4-Dihydroxy-5-Nitro-Phenyl)-N,N-Diethyl-Prop-2-Enamide; 2-Cyano-3-(3,4-Dihydroxy-5-Nitro-Phenyl)-N,N-Diethyl-Prop-2-Enamide
• Molecular Formula: C₁₄H₁₅N₃O₅
• Molecular Weight: 305.29
• CAS Registry Number: 116314-67-1
• SMILES: C1=C(\C=C(\C(N(CC)CC)=O)C#N)C=C(O)C(=C1[N+](=O)[O-])O
• 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