1-[4-(4-bromanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-(4-bromanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-bromo-3-nitro-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[(4-bromo-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(4-bromo-3-nitrobenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-bromo-3-nitro-benzoyl)piperazino]ethanone Formula: C13H14BrN3O4 MolecularWeight: 356.17196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O4/c1-9(18)15-4-6-16(7-5-15)13(19)10-2-3-11(14)12(8-10)17(20)21/h2-3,8H,4-7H2,1H3