5-(3-iodanylphenyl)-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(3-iodanylphenyl)-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(3-iodophenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(3-iodophenyl)-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(3-iodophenyl)-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-(3-iodophenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C11H9IN2O2 MolecularWeight: 328.10583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

CN1C(=CC(=N1)C2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C11H9IN2O2/c1-14-10(11(15)16)6-9(13-14)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,15,16)