2-[2-(4-iodanylphenoxy)ethyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-[2-(4-iodanylphenoxy)ethyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-[2-(4-iodophenoxy)ethyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[2-(4-iodophenoxy)ethyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[2-(4-iodophenoxy)ethyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[2-(4-iodophenoxy)ethyl]-5-methyl-3-pyrazolin-3-one Formula: C12H13IN2O2 MolecularWeight: 344.14829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)CCOC2=CC=C(C=C2)I

Isomeric SMILES

CC1=CC(=O)N(N1)CCOC2=CC=C(C=C2)I

InChI

InChI=1S/C12H13IN2O2/c1-9-8-12(16)15(14-9)6-7-17-11-4-2-10(13)3-5-11/h2-5,8,14H,6-7H2,1H3