2,5-Diaziridinyl-3-(hydroxymethyl)-6-methyl-1,4-benzoquinone

Properties Image MNX_ID MNXM165637 reference sabiorkM:25596 formula C12H14N2O3 global charge 0 mol weight 234.255 InChIKey JKDLOGLNPDVUCX-UHFFFAOYSA-N InChI InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3 SMILES CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O MNX internals InChI (mnx) InChI=1/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3 SMILES (mnx) [CH3:1][C:7]1=[C:9]([N:13]2[CH2:2][CH2:3]2)[C:12](=[O:17])[C:8]([CH2:6][OH:15])=[C:10]([N:14]2[CH2:4][CH2:5]2)[C:11]1=[O:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0