N-(2,3-dimethylphenyl)-2-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]acetamide Formula: C23H30N4O5 MolecularWeight: 442.5081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C23H30N4O5/c1-17-5-3-8-22(18(17)2)24-23(29)15-26-11-9-25(10-12-26)14-20(28)16-32-21-7-4-6-19(13-21)27(30)31/h3-8,13,20,28H,9-12,14-16H2,1-2H3,(H,24,29)