methyl 5-ethyl-4-(2-iodanylphenyl)carbonyl-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-ethyl-4-(2-iodanylphenyl)carbonyl-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-ethyl-4-(2-iodobenzoyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-ethyl-4-[(2-iodophenyl)-oxomethyl]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-4-(2-iodobenzoyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-ethyl-4-(2-iodobenzoyl)-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H16INO3 MolecularWeight: 397.20761

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2I

Isomeric SMILES

CCC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2I

InChI

InChI=1S/C16H16INO3/c1-4-12-14(13(9(2)18-12)16(20)21-3)15(19)10-7-5-6-8-11(10)17/h5-8,18H,4H2,1-3H3