[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-ethyl] ester Formula: C12H8ClF3N4O3 MolecularWeight: 348.66513

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=C(NN=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C12H8ClF3N4O3/c13-7-3-6(12(14,15)16)4-17-10(7)19-9(21)5-23-11(22)8-1-2-18-20-8/h1-4H,5H2,(H,18,20)(H,17,19,21)