4-nitro-6-(trifluoromethyl)-2H-benzotriazole

Systemtic Name: 4-nitro-6-(trifluoromethyl)-2H-benzotriazole Openeye Name: 4-nitro-6-(trifluoromethyl)-2H-benzotriazole CAS Name: 4-nitro-6-(trifluoromethyl)-2H-benzotriazole IUPAC Name: 4-nitro-6-(trifluoromethyl)-2H-benzotriazole Traditional Name: 4-nitro-6-(trifluoromethyl)-2H-benzotriazole Formula: C7H3F3N4O2 MolecularWeight: 233.112938

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=NNN=C21)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C2=N[15NH]N=C21)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C7H3F3N4O2/c8-7(9,10)3-1-4-6(12-13-11-4)5(2-3)14(15)16/h1-2H,(H,11,12,13)/i13+1