trinitrotoluene Identifiers InChIKey SPSSULHKWOKEEL-UHFFFAOYSA-N SMILES C1(N(=O)=O)C=C(N(=O)=O)C=C(N(=O)=O)C=1C InChI InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 Tags No tags assigned. Similar compounds Closest structural neighbours by Tanimoto similarity over ECFP 1-fluoro-2,4-dinitrobenzene 0.48 CAS 70-34-8 nitazene precursor BAFA 1-Chloro-2,4-dinitrobenzene 0.48 CAS 97-00-7 nitazene precursor BAFA DEA Special Surveillance List N¹-(2,4-dinitrophenyl)-N²,N²-dimethylethane-1,2-diamine 0.38 CAS 4119-48-6 nitazene precursor BAFA 4-Nitro-1,2-phenylenediamine 0.38 CAS 99-56-9 nitazene precursor BAFA DEA Special Surveillance List N¹-(2,4-dinitrophenyl)-N²,N²-diethylethane-1,2-diamine 0.37 CAS 56223-91-7 nitazene precursor BAFA 1-fluoro-2-nitrobenzene 0.33 CAS 1493-27-2 nitazene precursor BAFA 1-chloro-2-nitrobenzene 0.33 CAS 88-73-3 nitazene precursor BAFA 2,4-dinitro-N-(2-(pyrrolidin-1-yl)ethyl)aniline 0.33 CAS 832103-06-7 nitazene precursor BAFA 2,4-dinitro-N-(2-(piperidin-1-yl)ethyl)aniline 0.32 CAS 56820-43-0 nitazene precursor BAFA