2-(3-methylphenoxy)-1-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(4-nitrobenzoyl)piperazino]ethanone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-15-3-2-4-18(13-15)28-14-19(24)21-9-11-22(12-10-21)20(25)16-5-7-17(8-6-16)23(26)27/h2-8,13H,9-12,14H2,1H3