4-(2-hydroxyethyl)-1-(3-iodanylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(2-hydroxyethyl)-1-(3-iodanylphenyl)pyrazole-3-carboxylic acid Openeye Name: 4-(2-hydroxyethyl)-1-(3-iodophenyl)pyrazole-3-carboxylic acid CAS Name: 4-(2-hydroxyethyl)-1-(3-iodophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(2-hydroxyethyl)-1-(3-iodophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(2-hydroxyethyl)-1-(3-iodophenyl)pyrazole-3-carboxylic acid Formula: C12H11IN2O3 MolecularWeight: 358.13181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)N2C=C(C(=N2)C(=O)O)CCO

Isomeric SMILES

C1=CC(=CC(=C1)I)N2C=C(C(=N2)C(=O)O)CCO

InChI

InChI=1S/C12H11IN2O3/c13-9-2-1-3-10(6-9)15-7-8(4-5-16)11(14-15)12(17)18/h1-3,6-7,16H,4-5H2,(H,17,18)