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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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