1-[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[3-nitro-4-(4-p-anisoylpiperazino)phenyl]ethanone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-14(24)16-5-8-18(19(13-16)23(26)27)21-9-11-22(12-10-21)20(25)15-3-6-17(28-2)7-4-15/h3-8,13H,9-12H2,1-2H3