2-methyl-1-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]-2-methyl-propan-1-one Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H25N3O5/c1-13(2)17(22)19-8-6-18(7-9-19)11-15(21)12-25-16-5-3-4-14(10-16)20(23)24/h3-5,10,13,15,21H,6-9,11-12H2,1-2H3