4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate

Systemtic Name: 4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate Openeye Name: 4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate CAS Name: 4-bromo-2-methyl-5-(trifluoromethyl)-3-pyrazolecarboxylate IUPAC Name: 4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylate Formula: C6H3BrF3N2O2- MolecularWeight: 271.99943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)[O-]

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)[O-]

InChI

InChI=1S/C6H4BrF3N2O2/c1-12-3(5(13)14)2(7)4(11-12)6(8,9)10/h1H3,(H,13,14)/p-1