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

Systemtic Name: 2-(4-methyl-2-nitro-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(4-methyl-2-nitro-phenoxy)ethanone CAS Name: 2-(4-methyl-2-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4/c1-16-7-8-20(19(13-16)23(25)26)27-15-21(24)22-11-9-18(10-12-22)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3