ethyl 1-[2-(4-morpholin-4-yl-3-nitro-phenyl)carbonyloxypropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-morpholin-4-yl-3-nitro-phenyl)carbonyloxypropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-morpholino-3-nitro-benzoyl)oxypropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethoxy]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-morpholin-4-yl-3-nitrobenzoyl)oxypropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-morpholino-3-nitro-benzoyl)oxypropanoyl]isonipecotic acid ethyl ester Formula: C22H29N3O8 MolecularWeight: 463.48096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O8/c1-3-32-21(27)16-6-8-24(9-7-16)20(26)15(2)33-22(28)17-4-5-18(19(14-17)25(29)30)23-10-12-31-13-11-23/h4-5,14-16H,3,6-13H2,1-2H3