5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole

Systemtic Name: 5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole Openeye Name: 5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole CAS Name: 5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole IUPAC Name: 5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole Traditional Name: 5,7-dinitro-1-picryl-benzotriazole Formula: C12H4N8O10 MolecularWeight: 420.20776

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1[N+](=O)[O-])N(N=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C2C(=C1[N+](=O)[O-])N(N=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H4N8O10/c21-16(22)5-1-7-11(8(2-5)18(25)26)15(14-13-7)12-9(19(27)28)3-6(17(23)24)4-10(12)20(29)30/h1-4H