methyl 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-pyrazole-3-carboxylate

Systemtic Name: methyl 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-pyrazole-3-carboxylate Openeye Name: methyl 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-pyrazole-3-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypyrazole-3-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-pyrazole-3-carboxylic acid methyl ester Formula: C12H8ClF3N2O3 MolecularWeight: 320.65173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN(C=C1O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C12H8ClF3N2O3/c1-21-11(20)10-9(19)5-18(17-10)6-2-3-8(13)7(4-6)12(14,15)16/h2-5,19H,1H3