3-methyl-1-phenyl-5-[2,2,2-tris(fluoranyl)ethoxy]pyrazole-4-carboxylic acid

Systemtic Name: 3-methyl-1-phenyl-5-[2,2,2-tris(fluoranyl)ethoxy]pyrazole-4-carboxylic acid Openeye Name: 3-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pyrazole-4-carboxylic acid CAS Name: 3-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-4-pyrazolecarboxylic acid IUPAC Name: 3-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pyrazole-4-carboxylic acid Traditional Name: 3-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pyrazole-4-carboxylic acid Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)OCC(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)OCC(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C13H11F3N2O3/c1-8-10(12(19)20)11(21-7-13(14,15)16)18(17-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,19,20)