2-(3-methyl-4-nitro-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 2-(3-methyl-4-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-16-13-18(7-8-19(16)23(25)26)27-15-20(24)22-11-9-21(10-12-22)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3