[2-(4-iodophenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C15H12INO4 MolecularWeight: 397.16455

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C15H12INO4/c1-9(18)11-6-13(17-7-11)15(20)21-8-14(19)10-2-4-12(16)5-3-10/h2-7,17H,8H2,1H3