(4-nitrophenyl)methyl 4,4-dimethoxy-3-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl 4,4-dimethoxy-3-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4,4-dimethoxy-3-oxo-butanoate CAS Name: 4,4-dimethoxy-3-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4,4-dimethoxy-3-oxobutanoate Traditional Name: 3-keto-4,4-dimethoxy-butyric acid (4-nitrobenzyl) ester Formula: C13H15NO7 MolecularWeight: 297.2607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OC

Isomeric SMILES

COC(C(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H15NO7/c1-19-13(20-2)11(15)7-12(16)21-8-9-3-5-10(6-4-9)14(17)18/h3-6,13H,7-8H2,1-2H3