[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C17H20ClN3O6 MolecularWeight: 397.8102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC(=O)OCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O6/c1-12(22)2-5-17(24)27-11-16(23)20-8-6-19(7-9-20)14-4-3-13(18)10-15(14)21(25)26/h3-4,10H,2,5-9,11H2,1H3