[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C18H22ClN3O6 MolecularWeight: 411.83678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C18H22ClN3O6/c1-11-5-12(2)9-21(8-11)16(23)10-28-17(24)7-20-18(25)13-3-4-14(19)15(6-13)22(26)27/h3-4,6,11-12H,5,7-10H2,1-2H3,(H,20,25)