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

Systemtic Name: dimethyl 5-iodanyl-1-(2-propan-2-ylphenyl)pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 5-iodo-1-(2-isopropylphenyl)pyrazole-3,4-dicarboxylate CAS Name: 5-iodo-1-(2-propan-2-ylphenyl)pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-iodo-1-(2-propan-2-ylphenyl)pyrazole-3,4-dicarboxylate Traditional Name: 5-iodo-1-o-cumenyl-pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C16H17IN2O4 MolecularWeight: 428.22165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=C(C(=N2)C(=O)OC)C(=O)OC)I

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=C(C(=N2)C(=O)OC)C(=O)OC)I

InChI

InChI=1S/C16H17IN2O4/c1-9(2)10-7-5-6-8-11(10)19-14(17)12(15(20)22-3)13(18-19)16(21)23-4/h5-9H,1-4H3