methyl 5-iodanyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-iodanyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: methyl 5-iodo-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-iodo-1,3-dimethyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-iodo-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-iodo-1,3-dimethyl-pyrazole-4-carboxylic acid methyl ester Formula: C7H9IN2O2 MolecularWeight: 280.06303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9IN2O2/c1-4-5(7(11)12-3)6(8)10(2)9-4/h1-3H3