5-methyl-3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile

Systemtic Name: 5-methyl-3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Openeye Name: 5-methyl-3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile CAS Name: 5-methyl-3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-methyl-3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Traditional Name: 5-methyl-3-nitro-1-[3-(trifluoromethyl)benzyl]pyrazole-4-carbonitrile Formula: C13H9F3N4O2 MolecularWeight: 310.23137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H9F3N4O2/c1-8-11(6-17)12(20(21)22)18-19(8)7-9-3-2-4-10(5-9)13(14,15)16/h2-5H,7H2,1H3