ethyl 1-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-methylpiperidino)-5-nitro-benzoyl]isonipecotic acid ethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

InChI

InChI=1S/C21H29N3O5/c1-3-29-21(26)16-8-12-23(13-9-16)20(25)18-14-17(24(27)28)4-5-19(18)22-10-6-15(2)7-11-22/h4-5,14-16H,3,6-13H2,1-2H3