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

Systemtic Name: 1-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-m-anisoylpiperazino)-3-nitro-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(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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