[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H15F6N3O4 MolecularWeight: 487.351919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15F6N3O4/c1-11(2)17-10-18(29(28-17)15-3-5-16(6-4-15)30(32)33)34-19(31)12-7-13(20(22,23)24)9-14(8-12)21(25,26)27/h3-11H,1-2H3