3-hydroxymethyl-F8426-cinnamic acid

Properties Image MNX_ID MNXM1137746 reference envipathM:...84fa4af72746 formula C13H9ClF3N3O4 global charge 0 mol weight 363.679 InChIKey ANOYBNDLSHJYAJ-OWOJBTEDSA-N InChI InChI=1S/C13H9ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h1-4,12,21H,5H2,(H,22,23)/b2-1+ SMILES O=C(O)/C=C/C1=C(Cl)C=C(F)C(N2N=C(CO)N(C(F)F)C2=O)=C1 MNX internals InChI (mnx) InChI=1/C13H9ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h1-4,12,21H,5H2,(H,22,23)/b2-1+ SMILES (mnx) [CH:1](=[CH:2]/[C:11](=[O:22])[OH:23])\[C:6]1=[CH:3][C:9]([N:20]2[C:13](=[O:24])[N:19]([CH:12]([F:16])[F:17])[C:10]([CH2:5][OH:21])=[N:18]2)=[C:8]([F:15])[CH:4]=[C:7]1[Cl:14]

Parent-child relations graph

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