3-(4-iodanylpyrazol-1-yl)-1-(5-methyl-2-oxidanyl-phenyl)propan-1-one

Systemtic Name: 3-(4-iodanylpyrazol-1-yl)-1-(5-methyl-2-oxidanyl-phenyl)propan-1-one Openeye Name: 1-(2-hydroxy-5-methyl-phenyl)-3-(4-iodopyrazol-1-yl)propan-1-one CAS Name: 1-(2-hydroxy-5-methylphenyl)-3-(4-iodo-1-pyrazolyl)-1-propanone IUPAC Name: 1-(2-hydroxy-5-methylphenyl)-3-(4-iodopyrazol-1-yl)propan-1-one Traditional Name: 1-(2-hydroxy-5-methyl-phenyl)-3-(4-iodopyrazol-1-yl)propan-1-one Formula: C13H13IN2O2 MolecularWeight: 356.15899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)CCN2C=C(C=N2)I

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)CCN2C=C(C=N2)I

InChI

InChI=1S/C13H13IN2O2/c1-9-2-3-12(17)11(6-9)13(18)4-5-16-8-10(14)7-15-16/h2-3,6-8,17H,4-5H2,1H3