2-[5-[4-chloranyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[5-[4-chloranyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenoxy]acetic acid CAS Name: 2-[5-[[4-chloro-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrophenoxy]acetic acid Traditional Name: 2-[5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenoxy]acetic acid Formula: C13H9ClF3N3O6 MolecularWeight: 395.67527

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)OC2=CC(=C(C=C2)[N+](=O)[O-])OCC(=O)O)Cl)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)OC2=CC(=C(C=C2)[N+](=O)[O-])OCC(=O)O)Cl)C(F)(F)F

InChI

InChI=1S/C13H9ClF3N3O6/c1-19-11(13(15,16)17)10(14)12(18-19)26-6-2-3-7(20(23)24)8(4-6)25-5-9(21)22/h2-4H,5H2,1H3,(H,21,22)