methyl 3-iodanyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-iodanyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-iodo-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate CAS Name: 3-iodo-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-iodo-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-iodo-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H12INO3 MolecularWeight: 357.14375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CNC(=C2I)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CNC(=C2I)C(=O)OC

InChI

InChI=1S/C13H12INO3/c1-17-9-5-3-8(4-6-9)10-7-15-12(11(10)14)13(16)18-2/h3-7,15H,1-2H3