ethyl 1-(4-ethoxy-3-nitro-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-ethoxy-3-nitro-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-ethoxy-3-nitro-benzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-ethoxy-3-nitrobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-ethoxy-3-nitro-benzoyl)nipecotic acid ethyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-3-24-15-8-7-12(10-14(15)19(22)23)16(20)18-9-5-6-13(11-18)17(21)25-4-2/h7-8,10,13H,3-6,9,11H2,1-2H3