ethyl 1-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]piperidine-3-carboxylate CAS Name: 1-[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-methylpiperidino)-5-nitro-benzoyl]nipecotic acid ethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

InChI

InChI=1S/C21H29N3O5/c1-3-29-21(26)16-5-4-10-23(14-16)20(25)18-13-17(24(27)28)6-7-19(18)22-11-8-15(2)9-12-22/h6-7,13,15-16H,3-5,8-12,14H2,1-2H3