5-iodanyl-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-iodanyl-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-iodo-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-iodo-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-iodo-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-iodo-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C6H7IN2O2 MolecularWeight: 266.03645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)I)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)I)C

InChI

InChI=1S/C6H7IN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11)