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

Systemtic Name: 2-[3-nitro-5-(trifluoromethyl)pyrazol-1-yl]propanoic acid Openeye Name: 2-[3-nitro-5-(trifluoromethyl)pyrazol-1-yl]propanoic acid CAS Name: 2-[3-nitro-5-(trifluoromethyl)-1-pyrazolyl]propanoic acid IUPAC Name: 2-[3-nitro-5-(trifluoromethyl)pyrazol-1-yl]propanoic acid Traditional Name: 2-[3-nitro-5-(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)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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