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

Systemtic Name: ethyl 4-[2-(2-iodanylphenoxy)ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(2-iodophenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(2-iodophenoxy)-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-iodophenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(2-iodophenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H18INO4 MolecularWeight: 427.23359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC2=CC=CC=C2I)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC2=CC=CC=C2I)C

InChI

InChI=1S/C17H18INO4/c1-4-22-17(21)16-10(2)15(11(3)19-16)13(20)9-23-14-8-6-5-7-12(14)18/h5-8,19H,4,9H2,1-3H3