1-[4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[3-(4-acetylpiperazin-1-yl)anilino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[3-(4-acetyl-1-piperazinyl)anilino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[3-(4-acetylpiperazin-1-yl)anilino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[3-(4-acetylpiperazino)anilino]-3-nitro-phenyl]ethanone Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-14(25)16-6-7-19(20(12-16)24(27)28)21-17-4-3-5-18(13-17)23-10-8-22(9-11-23)15(2)26/h3-7,12-13,21H,8-11H2,1-2H3