2-[4-bromanyl-5-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: 2-[4-bromanyl-5-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 2-[4-bromo-5-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]benzoate Formula: C11H5BrF3N2O2- MolecularWeight: 334.06881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])N2C(=C(C=N2)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N2C(=C(C=N2)Br)C(F)(F)F

InChI

InChI=1S/C11H6BrF3N2O2/c12-7-5-16-17(9(7)11(13,14)15)8-4-2-1-3-6(8)10(18)19/h1-5H,(H,18,19)/p-1