dimethyl 2-[2-(4-nitrophenyl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(4-nitrophenyl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-(4-nitrophenyl)ethyl]propanedioate CAS Name: 2-[2-(4-nitrophenyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-nitrophenyl)ethyl]propanedioate Traditional Name: 2-[2-(4-nitrophenyl)ethyl]malonic acid dimethyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H15NO6/c1-19-12(15)11(13(16)20-2)8-5-9-3-6-10(7-4-9)14(17)18/h3-4,6-7,11H,5,8H2,1-2H3