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

Systemtic Name: ethyl 1-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3-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)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

InChI

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