tert-butyl 4-(5-iodanyl-2-oxidanyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-iodanyl-2-oxidanyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-hydroxy-5-iodo-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(2-hydroxy-5-iodophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-hydroxy-5-iodobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-hydroxy-5-iodo-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21IN2O4 MolecularWeight: 432.25341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21IN2O4/c1-16(2,3)23-15(22)19-8-6-18(7-9-19)14(21)12-10-11(17)4-5-13(12)20/h4-5,10,20H,6-9H2,1-3H3