2-[5-nitro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=CC(=N1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N1C(=CC(=N1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C7H6F3N3O4/c1-3(6(14)15)12-5(13(16)17)2-4(11-12)7(8,9)10/h2-3H,1H3,(H,14,15)