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

Systemtic Name: 2-(2-methoxy-5-nitro-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 2-(2-methoxy-5-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5/c1-27-18-8-7-17(23(25)26)13-19(18)28-15-20(24)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3