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

Systemtic Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic acid CAS Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetic acid Formula: C7H6F3N3O4 MolecularWeight: 253.13545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C7H6F3N3O4/c1-3-5(13(16)17)6(7(8,9)10)11-12(3)2-4(14)15/h2H2,1H3,(H,14,15)