[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [(1R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [(2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [(1R)-2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C(C)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H29N3O6/c1-14-5-4-6-15(2)23(14)20(25)16(3)30-21(26)17-7-8-18(19(13-17)24(27)28)22-9-11-29-12-10-22/h7-8,13-16H,4-6,9-12H2,1-3H3/t14-,15-,16-/m1/s1