1-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3/c1-13(22)19-7-9-20(10-8-19)14-5-6-16(21(23)24)15(11-14)18-12-17(2,3)4/h5-6,11,18H,7-10,12H2,1-4H3