(2-chlorophenyl)-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone

Systemtic Name: (2-chlorophenyl)-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone Openeye Name: (2-chlorophenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]methanone CAS Name: (2-chlorophenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]methanone IUPAC Name: (2-chlorophenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]methanone Traditional Name: (2-chlorophenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]methanone Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O5/c21-19-7-2-1-6-18(19)20(26)23-10-8-22(9-11-23)13-16(25)14-29-17-5-3-4-15(12-17)24(27)28/h1-7,12,16,25H,8-11,13-14H2