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

Systemtic Name: 6-methoxy-5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole Openeye Name: 6-methoxy-5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole CAS Name: 6-methoxy-5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole IUPAC Name: 6-methoxy-5,7-dinitro-1-(2,4,6-trinitrophenyl)benzotriazole Traditional Name: 6-methoxy-5,7-dinitro-1-picryl-benzotriazole Formula: C13H6N8O11 MolecularWeight: 450.23374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C13H6N8O11/c1-32-13-9(20(28)29)4-6-10(12(13)21(30)31)16(15-14-6)11-7(18(24)25)2-5(17(22)23)3-8(11)19(26)27/h2-4H,1H3