4-iodanyl-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one

Systemtic Name: 4-iodanyl-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: 4-iodo-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: 4-iodo-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: 4-iodo-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: 4-iodo-1-methyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C5H4F3IN2O MolecularWeight: 291.99774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1)I)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=O)N1)I)C(F)(F)F

InChI

InChI=1S/C5H4F3IN2O/c1-11-3(5(6,7)8)2(9)4(12)10-11/h1H3,(H,10,12)