1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Openeye Name: 1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone CAS Name: 1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-(2,4,6-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Traditional Name: 1-[4-(6-nitro-3-pyridyl)piperazino]-2-(2,4,6-trimethylphenoxy)ethanone Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-14-10-15(2)20(16(3)11-14)28-13-19(25)23-8-6-22(7-9-23)17-4-5-18(21-12-17)24(26)27/h4-5,10-12H,6-9,13H2,1-3H3