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

Systemtic Name: ethyl 1-[2-(4-morpholin-4-yl-3-nitro-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-morpholino-3-nitro-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-morpholin-4-yl-3-nitrobenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-morpholino-3-nitro-benzoyl)oxyacetyl]isonipecotic acid ethyl ester Formula: C21H27N3O8 MolecularWeight: 449.45438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O8/c1-2-31-20(26)15-5-7-23(8-6-15)19(25)14-32-21(27)16-3-4-17(18(13-16)24(28)29)22-9-11-30-12-10-22/h3-4,13,15H,2,5-12,14H2,1H3