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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C3=CC(=C(C=C3N=N2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C3=CC(=C(C=C3N=N2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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