5-(2-iodanylphenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2-iodanylphenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-(2-iodophenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-(2-iodophenoxy)-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(2-iodophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-(2-iodophenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C12H11IN2O3 MolecularWeight: 358.13181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)OC2=CC=CC=C2I)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)OC2=CC=CC=C2I)C

InChI

InChI=1S/C12H11IN2O3/c1-7-10(12(16)17)11(15(2)14-7)18-9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H,16,17)