[4-(4-ethanoylpiperazin-1-yl)phenyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-15(24)21-10-12-22(13-11-21)16-6-8-17(9-7-16)29-20(25)14-28-19-5-3-2-4-18(19)23(26)27/h2-9H,10-14H2,1H3