compound 0100025

Properties Image MNX_ID MNXM1188162 reference envipathM:...6659879bb982 formula C12H16N2O4 global charge 0 mol weight 252.27 InChIKey VFFKPOSQXAPKFH-MKMNVTDBSA-N InChI InChI=1S/C12H16N2O4/c1-7-5-9(16)12(18)8(2)11(7)14-6-10(17)13-3-4-15/h4-6,10,13,16-18H,3H2,1-2H3/b14-6+ SMILES CC1=C(/N=C/C(O)NCC=O)C(C)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C12H16N2O4/c1-7-5-9(16)12(18)8(2)11(7)14-6-10(17)13-3-4-15/h4-6,10,13,16-18H,3H2,1-2H3/b14-6+/t10? SMILES (mnx) [CH3:1][C:7]1=[CH:5][C:9]([OH:16])=[C:12]([OH:18])[C:8]([CH3:2])=[C:11]1/[N:14]=[CH:6]/[CH:10]([NH:13][CH2:3][CH:4]=[O:15])[OH:17]

Parent-child relations graph

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