ethyl 2-[4-[1-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 2-[4-[1-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[2-hydroxy-1-(4-nitrophenoxy)propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[2-hydroxy-1-(4-nitrophenoxy)propyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-hydroxy-1-(4-nitrophenoxy)propyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[2-hydroxy-1-(4-nitrophenoxy)propyl]piperazino]benzoic acid ethyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)C(C(C)O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)C(C(C)O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6/c1-3-30-22(27)19-6-4-5-7-20(19)23-12-14-24(15-13-23)21(16(2)26)31-18-10-8-17(9-11-18)25(28)29/h4-11,16,21,26H,3,12-15H2,1-2H3