dimethyl 5-iodanyl-1-(2-methylphenyl)pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 5-iodanyl-1-(2-methylphenyl)pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 5-iodo-1-(o-tolyl)pyrazole-3,4-dicarboxylate CAS Name: 5-iodo-1-(2-methylphenyl)pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-iodo-1-(2-methylphenyl)pyrazole-3,4-dicarboxylate Traditional Name: 5-iodo-1-(o-tolyl)pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C14H13IN2O4 MolecularWeight: 400.16849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C(=O)OC)C(=O)OC)I

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C(=O)OC)C(=O)OC)I

InChI

InChI=1S/C14H13IN2O4/c1-8-6-4-5-7-9(8)17-12(15)10(13(18)20-2)11(16-17)14(19)21-3/h4-7H,1-3H3