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

Systemtic Name: 2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C16H23N3O3 MolecularWeight: 305.37212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-3-13(4-2)16(20)18-11-9-17(10-12-18)14-5-7-15(8-6-14)19(21)22/h5-8,13H,3-4,9-12H2,1-2H3