Analyte Name

Entacapone

CAS Number

130929-57-6

Molecular Formula

C14 H15 N3 O5

Molecular Weight

305.29

Accurate Mass

305.1012

SMILES

CCN(CC)C(=O)\C(=C\c1cc(O)c(O)c(c1)[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+

IUPAC

(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

JAPAN

Product Type

API

Product Format

Neat

API Family

Entacapone