(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-3-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N3O6/c1-14-9-15(2)12-22(11-14)17-4-3-16(10-18(17)23(26)27)20(25)29-13-19(24)21-5-7-28-8-6-21/h3-4,10,14-15H,5-9,11-13H2,1-2H3/t14-,15-/m0/s1