7,7-dinitro-2-phenyl-5,6-dihydrobenzotriazol-4-one

Systemtic Name: 7,7-dinitro-2-phenyl-5,6-dihydrobenzotriazol-4-one Openeye Name: 7,7-dinitro-2-phenyl-5,6-dihydrobenzotriazol-4-one CAS Name: 7,7-dinitro-2-phenyl-5,6-dihydrobenzotriazol-4-one IUPAC Name: 7,7-dinitro-2-phenyl-5,6-dihydrobenzotriazol-4-one Traditional Name: 7,7-dinitro-2-phenyl-5,6-dihydrobenzotriazol-4-one Formula: C12H9N5O5 MolecularWeight: 303.23036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5O5/c18-9-6-7-12(16(19)20,17(21)22)11-10(9)13-15(14-11)8-4-2-1-3-5-8/h1-5H,6-7H2