1-[(2S)-4-(2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]butan-1-one

Systemtic Name: 1-[(2S)-4-(2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]butan-1-one Openeye Name: 1-[(2S)-4-(2-fluoro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]butan-1-one CAS Name: 1-[(2S)-4-(2-fluoro-4-nitrophenyl)-2-methyl-1-piperazinyl]-1-butanone IUPAC Name: 1-[(2S)-4-(2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]butan-1-one Traditional Name: 1-[(2S)-4-(2-fluoro-4-nitro-phenyl)-2-methyl-piperazino]butan-1-one Formula: C15H20FN3O3 MolecularWeight: 309.336003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CCCC(=O)N1CCN(C[C@@H]1C)C2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C15H20FN3O3/c1-3-4-15(20)18-8-7-17(10-11(18)2)14-6-5-12(19(21)22)9-13(14)16/h5-6,9,11H,3-4,7-8,10H2,1-2H3/t11-/m0/s1