1-[1-(2,4-dinitrophenyl)-5-methyl-3-(trichloromethyl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[1-(2,4-dinitrophenyl)-5-methyl-3-(trichloromethyl)pyrazol-4-yl]ethanone Openeye Name: 1-[1-(2,4-dinitrophenyl)-5-methyl-3-(trichloromethyl)pyrazol-4-yl]ethanone CAS Name: 1-[1-(2,4-dinitrophenyl)-5-methyl-3-(trichloromethyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[1-(2,4-dinitrophenyl)-5-methyl-3-(trichloromethyl)pyrazol-4-yl]ethanone Traditional Name: 1-[1-(2,4-dinitrophenyl)-5-methyl-3-(trichloromethyl)pyrazol-4-yl]ethanone Formula: C13H9Cl3N4O5 MolecularWeight: 407.59336

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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(Cl)(Cl)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(Cl)(Cl)Cl)C(=O)C

InChI

InChI=1S/C13H9Cl3N4O5/c1-6-11(7(2)21)12(13(14,15)16)17-18(6)9-4-3-8(19(22)23)5-10(9)20(24)25/h3-5H,1-2H3