3-(4-methylphenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole

Systemtic Name: 3-(4-methylphenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole Openeye Name: 1-(4-nitrophenyl)-3-(p-tolyl)-5-(trifluoromethyl)pyrazole CAS Name: 3-(4-methylphenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole IUPAC Name: 3-(4-methylphenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole Traditional Name: 1-(4-nitrophenyl)-3-(p-tolyl)-5-(trifluoromethyl)pyrazole Formula: C17H12F3N3O2 MolecularWeight: 347.29129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O2/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22(21-15)13-6-8-14(9-7-13)23(24)25/h2-10H,1H3