compound 0068549

Properties Image MNX_ID MNXM1184268 reference envipathM:...a218094fdd14 formula C17H12ClFN3O6 global charge -1 mol weight 408.749 InChIKey QINJTRSDNWBWKZ-SWYMKNIHSA-M InChI InChI=1S/C17H13ClFN3O6/c1-26-22-7-6-10(8-12(23)17(24)25)27-15-14(19)16(21-9-20-15)28-13-5-3-2-4-11(13)18/h2-7,9H,8H2,1H3,(H,24,25)/p-1/b10-6-,22-7- SMILES CO/N=C\C=C(\CC(=O)C(=O)[O-])OC1=NC=NC(OC2=C(Cl)C=CC=C2)=C1F MNX internals InChI (mnx) InChI=1/C17H13ClFN3O6/c1-26-22-7-6-10(8-12(23)17(24)25)27-15-14(19)16(21-9-20-15)28-13-5-3-2-4-11(13)18/h2-7,9H,8H2,1H3,(H,24,25)/b10-6-,22-7- SMILES (mnx) [CH3:1][O:26]/[N:22]=[CH:7]\[CH:6]=[C:10](\[CH2:8][C:12]([C:17]([OH:24])=[O:25])=[O:23])[O:27][C:15]1=[C:14]([F:19])[C:16]([O:28][C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]2[Cl:18])=[N:21][CH:9]=[N:20]1

Parent-child relations graph

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