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

Systemtic Name: 3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-12(2)11-15(19)17-9-7-16(8-10-17)13-3-5-14(6-4-13)18(20)21/h3-6,12H,7-11H2,1-2H3