6-nitro-1-(2,4,6-trinitrophenyl)benzotriazole

Systemtic Name: 6-nitro-1-(2,4,6-trinitrophenyl)benzotriazole Openeye Name: 6-nitro-1-(2,4,6-trinitrophenyl)benzotriazole CAS Name: 6-nitro-1-(2,4,6-trinitrophenyl)benzotriazole IUPAC Name: 6-nitro-1-(2,4,6-trinitrophenyl)benzotriazole Traditional Name: 6-nitro-1-picryl-benzotriazole Formula: C12H5N7O8 MolecularWeight: 375.2102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(N=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(N=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H5N7O8/c20-16(21)6-1-2-8-9(3-6)15(14-13-8)12-10(18(24)25)4-7(17(22)23)5-11(12)19(26)27/h1-5H