methyl 5-[2-(2-iodanylphenoxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(2-iodanylphenoxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(2-iodophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(2-iodophenoxy)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(2-iodophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2-iodophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H16INO4 MolecularWeight: 413.20701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC2=CC=CC=C2I

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC2=CC=CC=C2I

InChI

InChI=1S/C16H16INO4/c1-9-14(16(20)21-3)10(2)18-15(9)12(19)8-22-13-7-5-4-6-11(13)17/h4-7,18H,8H2,1-3H3