ethyl (5S)-3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: ethyl (5S)-3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl (5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C14H15F3N2O4 MolecularWeight: 332.27511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)N1[C@](CC(=N1)C2=CC=C(C=C2)OC)(C(F)(F)F)O

InChI

InChI=1S/C14H15F3N2O4/c1-3-23-12(20)19-13(21,14(15,16)17)8-11(18-19)9-4-6-10(22-2)7-5-9/h4-7,21H,3,8H2,1-2H3/t13-/m0/s1