3-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate

Systemtic Name: 3-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Openeye Name: 3-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate CAS Name: 3-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate IUPAC Name: 3-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Traditional Name: 3-[5-keto-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzoate Formula: C11H6F3N2O3- MolecularWeight: 271.17215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7F3N2O3/c12-11(13,14)8-5-9(17)16(15-8)7-3-1-2-6(4-7)10(18)19/h1-5,15H,(H,18,19)/p-1