[2-(4-iodophenyl)-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-(4-iodophenyl)-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(4-iodophenyl)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-iodophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-iodophenyl)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(4-iodophenyl)-2-keto-ethyl] ester Formula: C17H18INO3 MolecularWeight: 411.23419

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)I)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)I)C

InChI

InChI=1S/C17H18INO3/c1-4-19-11(2)9-15(12(19)3)17(21)22-10-16(20)13-5-7-14(18)8-6-13/h5-9H,4,10H2,1-3H3