[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-[(2R,6R)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C19H25N3O6/c1-13-10-21(11-14(2)28-13)18(23)12-27-19(24)16-9-15(22(25)26)5-6-17(16)20-7-3-4-8-20/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3/t13-,14-/m1/s1