ethyl 4-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate

Systemtic Name: ethyl 4-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Openeye Name: ethyl 4-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate CAS Name: 4-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[5-keto-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O3/c1-2-21-12(20)8-3-5-9(6-4-8)18-11(19)7-10(17-18)13(14,15)16/h3-7,17H,2H2,1H3