compound 0237079

Properties Image MNX_ID MNXM1190375 reference envipathM:...04c0c4d569bf formula C14H12ClN2O5 global charge -1 mol weight 323.712 InChIKey LEGFVOAQJUHMGS-UHFFFAOYSA-M InChI InChI=1S/C14H13ClN2O5/c1-17-8-3-2-6(15)4-7(8)11(16-12(18)13(17)19)10(14(20)21)9-5-22-9/h2-4,9-10,12,18H,5H2,1H3,(H,20,21)/p-1 SMILES CN1C(=O)C(O)N=C(C(C(=O)[O-])C2CO2)C2=C1C=CC(Cl)=C2 MNX internals InChI (mnx) InChI=1/C14H13ClN2O5/c1-17-8-3-2-6(15)4-7(8)11(16-12(18)13(17)19)10(14(20)21)9-5-22-9/h2-4,9-10,12,18H,5H2,1H3,(H,20,21)/t9?,10?,12? SMILES (mnx) [CH3:1][N:17]1[C:8]2=[C:7]([CH:4]=[C:6]([Cl:15])[CH:2]=[CH:3]2)[C:11]([CH:10]([CH:9]2[CH2:5][O:22]2)[C:14](=[O:20])[OH:21])=[N:16][CH:12]([OH:18])[C:13]1=[O:19]

Parent-child relations graph

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