5-methoxy-4-nitro-2-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-methoxy-4-nitro-2-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylic acid Openeye Name: 5-methoxy-4-nitro-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid CAS Name: 5-methoxy-4-nitro-2-(2,2,2-trifluoroethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-methoxy-4-nitro-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Traditional Name: 5-methoxy-4-nitro-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Formula: C7H6F3N3O5 MolecularWeight: 269.13485

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC(F)(F)F

Isomeric SMILES

COC1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC(F)(F)F

InChI

InChI=1S/C7H6F3N3O5/c1-18-5-3(13(16)17)4(6(14)15)12(11-5)2-7(8,9)10/h2H2,1H3,(H,14,15)