methyl 3-(4-ethylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: methyl 3-(4-ethylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: methyl 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid methyl ester Formula: C14H15F3N2O3 MolecularWeight: 316.27571

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)OC

InChI

InChI=1S/C14H15F3N2O3/c1-3-9-4-6-10(7-5-9)11-8-13(21,14(15,16)17)19(18-11)12(20)22-2/h4-7,21H,3,8H2,1-2H3