(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone

Properties Image MNX_ID MNXM172444 reference chebi:116109 formula C16H9ClN2O7 global charge 0 mol weight 376.708 InChIKey HZSADKRNPPIODV-UHFFFAOYSA-N InChI InChI=1S/C16H9ClN2O7/c1-7-12(15(20)8-2-4-9(17)5-3-8)13-11(26-7)6-10(18(22)23)16(21)14(13)19(24)25/h2-6,21H,1H3 SMILES CC1=C(C(=O)C2=CC=C(Cl)C=C2)C2=C(C=C([N+](=O)[O-])C(O)=C2[N+](=O)[O-])O1 MNX internals InChI (mnx) InChI=1/C16H9ClN2O7/c1-7-12(15(20)8-2-4-9(17)5-3-8)13-11(26-7)6-10(18(22)23)16(21)14(13)19(24)25/h2-6,21H,1H3 SMILES (mnx) [CH3:1][C:7]1=[C:12]([C:15]([C:8]2=[CH:3][CH:5]=[C:9]([Cl:17])[CH:4]=[CH:2]2)=[O:20])[C:13]2=[C:11]([CH:6]=[C:10]([N+:18]([O-:22])=[O:23])[C:16]([OH:21])=[C:14]2[N+:19]([O-:24])=[O:25])[O:26]1

Parent-child relations graph

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