HSMR (Halosulfuron-methyl rearrangement)

Properties Image MNX_ID MNXM527193 reference envipathM:...af3c96a6904f formula C12H14ClN5O4 global charge 0 mol weight 327.728 InChIKey XMGTYNWWLZFKBQ-UHFFFAOYSA-N InChI InChI=1S/C12H14ClN5O4/c1-18-10(8(9(13)17-18)11(19)22-4)16-12-14-6(20-2)5-7(15-12)21-3/h5H,1-4H3,(H,14,15,16) SMILES COC(=O)C1=C(NC2=NC(OC)=CC(OC)=N2)N(C)N=C1Cl MNX internals InChI (mnx) InChI=1/C12H14ClN5O4/c1-18-10(8(9(13)17-18)11(19)22-4)16-12-14-6(20-2)5-7(15-12)21-3/h5H,1-4H3,(H,14,15,16) SMILES (mnx) [CH3:1][N:18]1[C:10]([NH:16][C:12]2=[N:14][C:6]([O:20][CH3:2])=[CH:5][C:7]([O:21][CH3:3])=[N:15]2)=[C:8]([C:11](=[O:19])[O:22][CH3:4])[C:9]([Cl:13])=[N:17]1

Parent-child relations graph

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