dimethyl 5-iodanyl-1-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 5-iodanyl-1-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 5-iodo-1-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 5-iodo-1-phenylpyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-iodo-1-phenylpyrazole-3,4-dicarboxylate Traditional Name: 5-iodo-1-phenyl-pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C13H11IN2O4 MolecularWeight: 386.14191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1C(=O)OC)C2=CC=CC=C2)I

Isomeric SMILES

COC(=O)C1=C(N(N=C1C(=O)OC)C2=CC=CC=C2)I

InChI

InChI=1S/C13H11IN2O4/c1-19-12(17)9-10(13(18)20-2)15-16(11(9)14)8-6-4-3-5-7-8/h3-7H,1-2H3