methyl 5-[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-benzoate

Systemtic Name: methyl 5-[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-benzoate Openeye Name: methyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-benzoate CAS Name: 5-[[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrobenzoate Traditional Name: 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitro-benzoic acid methyl ester Formula: C13H9BrF3N3O5 MolecularWeight: 424.12687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrF3N3O5/c1-19-10(13(15,16)17)9(14)11(18-19)25-6-3-4-8(20(22)23)7(5-6)12(21)24-2/h3-5H,1-2H3