7,7-dinitro-2-phenyl-5,6-dihydro-4H-benzotriazole

Systemtic Name: 7,7-dinitro-2-phenyl-5,6-dihydro-4H-benzotriazole Openeye Name: 7,7-dinitro-2-phenyl-5,6-dihydro-4H-benzotriazole CAS Name: 7,7-dinitro-2-phenyl-5,6-dihydro-4H-benzotriazole IUPAC Name: 7,7-dinitro-2-phenyl-5,6-dihydro-4H-benzotriazole Traditional Name: 7,7-dinitro-2-phenyl-5,6-dihydro-4H-benzotriazole Formula: C12H11N5O4 MolecularWeight: 289.24684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NN(N=C2C(C1)([N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CC2=NN(N=C2C(C1)([N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C12H11N5O4/c18-16(19)12(17(20)21)8-4-7-10-11(12)14-15(13-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2