4,4,7,7-tetranitro-2-phenyl-5,6-dihydrobenzotriazole

Systemtic Name: 4,4,7,7-tetranitro-2-phenyl-5,6-dihydrobenzotriazole Openeye Name: 4,4,7,7-tetranitro-2-phenyl-5,6-dihydrobenzotriazole CAS Name: 4,4,7,7-tetranitro-2-phenyl-5,6-dihydrobenzotriazole IUPAC Name: 4,4,7,7-tetranitro-2-phenyl-5,6-dihydrobenzotriazole Traditional Name: 4,4,7,7-tetranitro-2-phenyl-5,6-dihydrobenzotriazole Formula: C12H9N7O8 MolecularWeight: 379.24196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=NN(N=C2C1([N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(C2=NN(N=C2C1([N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N7O8/c20-16(21)11(17(22)23)6-7-12(18(24)25,19(26)27)10-9(11)13-15(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2