(2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C16H20N2O7/c1-11(2)25-15(19)10-24-16(20)13-9-12(18(21)22)3-4-14(13)17-5-7-23-8-6-17/h3-4,9,11H,5-8,10H2,1-2H3