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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7/c21-16(19-5-9-26-10-6-19)12-27-17(22)13-1-2-14(15(11-13)20(23)24)18-3-7-25-8-4-18/h1-2,11H,3-10,12H2