2-(2-methoxy-5-nitro-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(2-methoxy-5-nitro-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 2-(2-methoxy-5-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5/c1-27-19-8-7-18(23(25)26)14-20(19)28-15-21(24)22-11-9-17(10-12-22)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3