(3,3-dimethyl-2-oxidanylidene-butyl) 5-nitrofuran-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-nitrofuran-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C11H13NO6 MolecularWeight: 255.22402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO6/c1-11(2,3)8(13)6-17-10(14)7-4-5-9(18-7)12(15)16/h4-5H,6H2,1-3H3