(3,3-dimethyl-2-oxidanylidene-butyl) 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H22N2O6 MolecularWeight: 350.36638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6/c1-17(2,3)15(20)11-25-16(21)13-10-12(19(22)23)4-5-14(13)18-6-8-24-9-7-18/h4-5,10H,6-9,11H2,1-3H3