(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-bromanyl-3-nitro-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C14H15BrN2O6 MolecularWeight: 387.1827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H15BrN2O6/c1-9(13(18)16-4-6-22-7-5-16)23-14(19)10-2-3-11(15)12(8-10)17(20)21/h2-3,8-9H,4-7H2,1H3