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

Systemtic Name: dimethyl 2-[2-(2-nitrophenyl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-nitrophenyl)ethyl]propanedioate CAS Name: 2-[2-(2-nitrophenyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-nitrophenyl)ethyl]propanedioate Traditional Name: 2-[2-(2-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=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

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