ethyl (5R)-3-(3-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: ethyl (5R)-3-(3-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl (5R)-5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5R)-5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5R)-5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C13H12F3N3O5 MolecularWeight: 347.24669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)N1[C@@](CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C13H12F3N3O5/c1-2-24-11(20)18-12(21,13(14,15)16)7-10(17-18)8-4-3-5-9(6-8)19(22)23/h3-6,21H,2,7H2,1H3/t12-/m1/s1