ethyl 4-hexanoyl-5-iodanyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-hexanoyl-5-iodanyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-hexanoyl-5-iodo-1H-pyrrole-2-carboxylate CAS Name: 5-iodo-4-(1-oxohexyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hexanoyl-5-iodo-1H-pyrrole-2-carboxylate Traditional Name: 4-caproyl-5-iodo-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H18INO3 MolecularWeight: 363.19139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(NC(=C1)C(=O)OCC)I

Isomeric SMILES

CCCCCC(=O)C1=C(NC(=C1)C(=O)OCC)I

InChI

InChI=1S/C13H18INO3/c1-3-5-6-7-11(16)9-8-10(15-12(9)14)13(17)18-4-2/h8,15H,3-7H2,1-2H3