1-(2,4-dinitrophenyl)-4-[2-(dioxidanyl)-2,2-diphenyl-ethyl]-3,5-dimethyl-pyrazole

Systemtic Name: 1-(2,4-dinitrophenyl)-4-[2-(dioxidanyl)-2,2-diphenyl-ethyl]-3,5-dimethyl-pyrazole Openeye Name: 1-(2,4-dinitrophenyl)-4-(2-hydroperoxy-2,2-diphenyl-ethyl)-3,5-dimethyl-pyrazole CAS Name: 1-(2,4-dinitrophenyl)-4-(2-hydroperoxy-2,2-diphenylethyl)-3,5-dimethylpyrazole IUPAC Name: 1-(2,4-dinitrophenyl)-4-(2-hydroperoxy-2,2-diphenylethyl)-3,5-dimethylpyrazole Traditional Name: 1-(2,4-dinitrophenyl)-4-(2-hydroperoxy-2,2-diphenyl-ethyl)-3,5-dimethyl-pyrazole Formula: C25H22N4O6 MolecularWeight: 474.46538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)CC(C3=CC=CC=C3)(C4=CC=CC=C4)OO

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)CC(C3=CC=CC=C3)(C4=CC=CC=C4)OO

InChI

InChI=1S/C25H22N4O6/c1-17-22(16-25(35-34,19-9-5-3-6-10-19)20-11-7-4-8-12-20)18(2)27(26-17)23-14-13-21(28(30)31)15-24(23)29(32)33/h3-15,34H,16H2,1-2H3