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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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