[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-(trifluoromethyl)benzoate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-(trifluoromethyl)benzoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O4/c1-20(2,3)17-12-18(26(25-17)15-8-10-16(11-9-15)27(29)30)31-19(28)13-4-6-14(7-5-13)21(22,23)24/h4-12H,1-3H3