methyl 3,5-bis(iodanyl)-1-methyl-pyrazole-4-carboxylate

Systemtic Name: methyl 3,5-bis(iodanyl)-1-methyl-pyrazole-4-carboxylate Openeye Name: methyl 3,5-diiodo-1-methyl-pyrazole-4-carboxylate CAS Name: 3,5-diiodo-1-methyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3,5-diiodo-1-methylpyrazole-4-carboxylate Traditional Name: 3,5-diiodo-1-methyl-pyrazole-4-carboxylic acid methyl ester Formula: C6H6I2N2O2 MolecularWeight: 391.93298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)I)C(=O)OC)I

Isomeric SMILES

CN1C(=C(C(=N1)I)C(=O)OC)I

InChI

InChI=1S/C6H6I2N2O2/c1-10-5(8)3(4(7)9-10)6(11)12-2/h1-2H3