[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C20H16F3N5O5 MolecularWeight: 463.36675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H16F3N5O5/c1-11-14(10-25-27(11)17-5-3-4-8-24-17)19(30)33-12(2)18(29)26-16-7-6-13(28(31)32)9-15(16)20(21,22)23/h3-10,12H,1-2H3,(H,26,29)