[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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