(2S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: (2S)-2-methyl-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-3-12(2)15(19)17-10-8-16(9-11-17)13-4-6-14(7-5-13)18(20)21/h4-7,12H,3,8-11H2,1-2H3/t12-/m0/s1