3-oxidanylidenebutan-2-yl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C13H15NO7 MolecularWeight: 297.2607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO7/c1-7(15)8(2)21-13(16)9-5-11(19-3)12(20-4)6-10(9)14(17)18/h5-6,8H,1-4H3