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

Systemtic Name: ethyl 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-pyrazole-3-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypyrazole-3-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-pyrazole-3-carboxylic acid ethyl ester Formula: C13H10ClF3N2O3 MolecularWeight: 334.67831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClF3N2O3/c1-2-22-12(21)11-10(20)6-19(18-11)7-3-4-9(14)8(5-7)13(15,16)17/h3-6,20H,2H2,1H3