1-[3-[3-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-[3-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[2-hydroxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propoxy]phenyl]ethanone CAS Name: 1-[3-[2-hydroxy-3-[4-(2-nitrophenyl)-1-piperazinyl]propoxy]phenyl]ethanone IUPAC Name: 1-[3-[2-hydroxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propoxy]phenyl]ethanone Traditional Name: 1-[3-[2-hydroxy-3-[4-(2-nitrophenyl)piperazino]propoxy]phenyl]ethanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C21H25N3O5/c1-16(25)17-5-4-6-19(13-17)29-15-18(26)14-22-9-11-23(12-10-22)20-7-2-3-8-21(20)24(27)28/h2-8,13,18,26H,9-12,14-15H2,1H3