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

Systemtic Name: 1-(2-iodanylphenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-(3-hydroxypropyl)-1-(2-iodophenyl)pyrazole-3-carboxylic acid CAS Name: 4-(3-hydroxypropyl)-1-(2-iodophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-hydroxypropyl)-1-(2-iodophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(3-hydroxypropyl)-1-(2-iodophenyl)pyrazole-3-carboxylic acid Formula: C13H13IN2O3 MolecularWeight: 372.15839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13IN2O3/c14-10-5-1-2-6-11(10)16-8-9(4-3-7-17)12(15-16)13(18)19/h1-2,5-6,8,17H,3-4,7H2,(H,18,19)