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

Systemtic Name: ethyl 1-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(4-methylpiperidino)-3-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=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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