[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C15H17IN2O4 MolecularWeight: 416.21095

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C15H17IN2O4/c1-11(19)17-5-7-18(8-6-17)14(20)10-22-15(21)12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3