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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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