Analyte Name

N-Nitroso-ethyl(3R,4R,5S)-5-N,N-Diallylamino-4-(1,1-dimethylethyl)amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

Molecular Formula

C24H41N3O4

Molecular Weight

435.61

Accurate Mass

435.31

SMILES

O=C(C1=C[C@@H](OC(CC)CC)[C@H](N(N=O)C(C)(C)C)[C@@H](N(CC=C)CC=C)C1)OCC

InChI

InChI=1S/C24H41N3O4/c1-9-14-26(15-10-2)20-16-18(23(28)30-13-5)17-21(31-19(11-3)12-4)22(20)27(25-29)24(6,7)8/h9-10,17,19-22H,1-2,11-16H2,3-8H3/t20-,21+,22+/m0/s1

IUPAC

Ethyl (3R,4R,5S)-4-(tert-Butyl(nitroso)amino)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate

Country of Origin

CANADA

Product Format

Neat