Analyte Name

(alphaE)-alpha-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-beta-oxo-1-piperidinepropanenitrile-d10

Molecular Formula

C15 D10 H5 N3 O5

Molecular Weight

327.358

Accurate Mass

327.164

SMILES

[2H]C1([2H])N(C(=O)\C(=C\c2cc(O)c(O)c(c2)[N+](=O)[O-])\C#N)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

InChI

InChI=1S/C15H15N3O5/c16-9-11(15(21)17-4-2-1-3-5-17)6-10-7-12(18(22)23)14(20)13(19)8-10/h6-8,19-20H,1-5H2/b11-6+/i1D2,2D2,3D2,4D2,5D2

IUPAC

(E)-2-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidine-1-carbonyl)-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enenitrile

Unlabelled CAS Number

1150310-15-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat