dimethyl 1-(4-bromanyl-2-tert-butyl-phenyl)-5-iodanyl-pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-(4-bromanyl-2-tert-butyl-phenyl)-5-iodanyl-pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 1-(4-bromo-2-tert-butyl-phenyl)-5-iodo-pyrazole-3,4-dicarboxylate CAS Name: 1-(4-bromo-2-tert-butylphenyl)-5-iodopyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-bromo-2-tert-butylphenyl)-5-iodopyrazole-3,4-dicarboxylate Traditional Name: 1-(4-bromo-2-tert-butyl-phenyl)-5-iodo-pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C17H18BrIN2O4 MolecularWeight: 521.14429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)N2C(=C(C(=N2)C(=O)OC)C(=O)OC)I

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)N2C(=C(C(=N2)C(=O)OC)C(=O)OC)I

InChI

InChI=1S/C17H18BrIN2O4/c1-17(2,3)10-8-9(18)6-7-11(10)21-14(19)12(15(22)24-4)13(20-21)16(23)25-5/h6-8H,1-5H3