2-[4-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazino]benzoic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H23N3O6/c24-16(14-29-17-7-5-15(6-8-17)23(27)28)13-21-9-11-22(12-10-21)19-4-2-1-3-18(19)20(25)26/h1-8,16,24H,9-14H2,(H,25,26)