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

Systemtic Name: 2-(4-iodanyl-2-methyl-phenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-(4-iodo-2-methyl-phenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-(4-iodo-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-(4-iodo-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-(4-iodo-2-methyl-phenyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C11H8F3IN2O MolecularWeight: 368.0937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C11H8F3IN2O/c1-6-4-7(15)2-3-8(6)17-10(18)5-9(16-17)11(12,13)14/h2-5,16H,1H3