(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6/c21-16(19-7-9-25-10-8-19)12-26-17(22)13-3-4-14(15(11-13)20(23)24)18-5-1-2-6-18/h3-4,11H,1-2,5-10,12H2