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

Systemtic Name: (4-methoxyphenyl)-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone Openeye Name: [4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]-(4-methoxyphenyl)methanone Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H25N3O6/c1-29-19-7-5-16(6-8-19)21(26)23-11-9-22(10-12-23)14-18(25)15-30-20-4-2-3-17(13-20)24(27)28/h2-8,13,18,25H,9-12,14-15H2,1H3