3-oxidanylidenebutan-2-yl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O6/c1-10(18)11(2)23-15(19)12-3-4-13(14(9-12)17(20)21)16-5-7-22-8-6-16/h3-4,9,11H,5-8H2,1-2H3