compound 0289807

Properties Image MNX_ID MNXM1192637 reference envipathM:...16b386fef64a formula C12H6F6N4O2 global charge 0 mol weight 352.194 InChIKey FMNBDZMGNAJBTL-UHFFFAOYSA-N InChI InChI=1S/C12H6F6N4O2/c13-11(14,15)4-1-2-6(9(24)8(4)23)22-10(20)7(12(16,17)18)5(3-19)21-22/h1-2,23-24H,20H2 SMILES N#CC1=NN(C2=CC=C(C(F)(F)F)C(O)=C2O)C(N)=C1C(F)(F)F MNX internals InChI (mnx) InChI=1/C12H6F6N4O2/c13-11(14,15)4-1-2-6(9(24)8(4)23)22-10(20)7(12(16,17)18)5(3-19)21-22/h1-2,23-24H,20H2 SMILES (mnx) [CH:1]1=[CH:2][C:6]([N:22]2[C:10]([NH2:20])=[C:7]([C:12]([F:16])([F:17])[F:18])[C:5]([C:3]#[N:19])=[N:21]2)=[C:9]([OH:24])[C:8]([OH:23])=[C:4]1[C:11]([F:13])([F:14])[F:15]

Parent-child relations graph

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