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

Systemtic Name: [5-[4-chloranyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenyl]carbamic acid Openeye Name: [5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenyl]carbamic acid CAS Name: [5-[[4-chloro-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-2-nitrophenyl]carbamic acid IUPAC Name: [5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrophenyl]carbamic acid Traditional Name: [5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-phenyl]carbamic acid Formula: C12H8ClF3N4O5 MolecularWeight: 380.66393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClF3N4O5/c1-19-9(12(14,15)16)8(13)10(18-19)25-5-2-3-7(20(23)24)6(4-5)17-11(21)22/h2-4,17H,1H3,(H,21,22)