(3,5-dimethylpyrazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone

Systemtic Name: (3,5-dimethylpyrazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone Openeye Name: (3,5-dimethylpyrazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone CAS Name: (3,5-dimethyl-1-pyrazolyl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone IUPAC Name: (3,5-dimethylpyrazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone Traditional Name: (3,5-dimethylpyrazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone Formula: C13H10F3N3O3 MolecularWeight: 313.23201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C13H10F3N3O3/c1-7-5-8(2)18(17-7)12(20)10-4-3-9(13(14,15)16)6-11(10)19(21)22/h3-6H,1-2H3