(3,3-dimethyl-2-oxidanylidene-butyl) 3-nitrobenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-nitrobenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H15NO5 MolecularWeight: 265.2619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-13(2,3)11(15)8-19-12(16)9-5-4-6-10(7-9)14(17)18/h4-7H,8H2,1-3H3