1-[(2S)-4-(5-bromanyl-2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]ethanone

Systemtic Name: 1-[(2S)-4-(5-bromanyl-2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]ethanone Openeye Name: 1-[(2S)-4-(5-bromo-2-fluoro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]ethanone CAS Name: 1-[(2S)-4-(5-bromo-2-fluoro-4-nitrophenyl)-2-methyl-1-piperazinyl]ethanone IUPAC Name: 1-[(2S)-4-(5-bromo-2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]ethanone Traditional Name: 1-[(2S)-4-(5-bromo-2-fluoro-4-nitro-phenyl)-2-methyl-piperazino]ethanone Formula: C13H15BrFN3O3 MolecularWeight: 360.178903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=C(C=C2F)[N+](=O)[O-])Br

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C)C2=CC(=C(C=C2F)[N+](=O)[O-])Br

InChI

InChI=1S/C13H15BrFN3O3/c1-8-7-16(3-4-17(8)9(2)19)13-5-10(14)12(18(20)21)6-11(13)15/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1