ethyl 4-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Openeye Name: ethyl 4-[(4-chloro-2-nitro-phenyl)-hydroxy-methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate CAS Name: 4-[(4-chloro-2-nitrophenyl)-hydroxymethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-2-nitrophenyl)-hydroxymethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Traditional Name: 4-[(4-chloro-2-nitro-phenyl)-hydroxy-methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C14H11ClF3N3O5 MolecularWeight: 393.70245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1C(C2=C(C=C(C=C2)Cl)[N+](=O)[O-])O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NNC(=C1C(C2=C(C=C(C=C2)Cl)[N+](=O)[O-])O)C(F)(F)F

InChI

InChI=1S/C14H11ClF3N3O5/c1-2-26-13(23)10-9(12(20-19-10)14(16,17)18)11(22)7-4-3-6(15)5-8(7)21(24)25/h3-5,11,22H,2H2,1H3,(H,19,20)