3-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)propanoic acid

Systemtic Name: 3-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)propanoic acid Openeye Name: 3-(4-iodo-3,5-dimethyl-pyrazol-1-yl)propanoic acid CAS Name: 3-(4-iodo-3,5-dimethyl-1-pyrazolyl)propanoic acid IUPAC Name: 3-(4-iodo-3,5-dimethylpyrazol-1-yl)propanoic acid Traditional Name: 3-(4-iodo-3,5-dimethyl-pyrazol-1-yl)propionic acid Formula: C8H11IN2O2 MolecularWeight: 294.08961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)O)C)I

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)O)C)I

InChI

InChI=1S/C8H11IN2O2/c1-5-8(9)6(2)11(10-5)4-3-7(12)13/h3-4H2,1-2H3,(H,12,13)