[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C22H17F3N4O5 MolecularWeight: 474.38939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H17F3N4O5/c23-22(24,25)14-8-9-16(18(10-14)29(32)33)26-20(30)12-34-21(31)19-11-17(13-6-7-13)27-28(19)15-4-2-1-3-5-15/h1-5,8-11,13H,6-7,12H2,(H,26,30)