methyl 4-(4-iodanyl-3-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: methyl 4-(4-iodanyl-3-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: methyl 4-(4-iodo-3-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-iodo-3-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-iodo-3-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-iodo-3-nitro-benzoyl)piperazine-1-carboxylic acid methyl ester Formula: C13H14IN3O5 MolecularWeight: 419.17183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)I)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C13H14IN3O5/c1-22-13(19)16-6-4-15(5-7-16)12(18)9-2-3-10(14)11(8-9)17(20)21/h2-3,8H,4-7H2,1H3