tert-butyl 5-iodanyl-4-methyl-3-(4-methylphenyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-iodanyl-4-methyl-3-(4-methylphenyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-iodo-4-methyl-3-(p-tolyl)-1H-pyrrole-2-carboxylate CAS Name: 5-iodo-4-methyl-3-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-iodo-4-methyl-3-(4-methylphenyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-iodo-4-methyl-3-(p-tolyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C17H20INO2 MolecularWeight: 397.25067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NC(=C2C)I)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NC(=C2C)I)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H20INO2/c1-10-6-8-12(9-7-10)13-11(2)15(18)19-14(13)16(20)21-17(3,4)5/h6-9,19H,1-5H3