4-[(4-iodophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(4-iodophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-iodophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-iodophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-iodophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-iodobenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C11H8F3IN2O MolecularWeight: 368.0937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(NNC2=O)C(F)(F)F)I

Isomeric SMILES

C1=CC(=CC=C1CC2=C(NNC2=O)C(F)(F)F)I

InChI

InChI=1S/C11H8F3IN2O/c12-11(13,14)9-8(10(18)17-16-9)5-6-1-3-7(15)4-2-6/h1-4H,5H2,(H2,16,17,18)