3,4-dinitrotoluene

Properties Image MNX_ID MNXM166089 reference chebi:142285 formula C7H6N2O4 global charge 0 mol weight 182.135 InChIKey INYDMNPNDHRJQJ-UHFFFAOYSA-N InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3 SMILES CC1=CC=C([N+](=O)[O-])C([N+](=O)[O-])=C1 MNX internals InChI (mnx) InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3 SMILES (mnx) [CH3:1][C:5]1=[CH:4][C:7]([N+:9]([O-:12])=[O:13])=[C:6]([N+:8]([O-:10])=[O:11])[CH:3]=[CH:2]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0