dimethyl 2-(4-methylsulfonyl-2-nitro-phenyl)propanedioate

Systemtic Name: dimethyl 2-(4-methylsulfonyl-2-nitro-phenyl)propanedioate Openeye Name: dimethyl 2-(4-methylsulfonyl-2-nitro-phenyl)propanedioate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-methylsulfonyl-2-nitrophenyl)propanedioate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)malonic acid dimethyl ester Formula: C12H13NO8S MolecularWeight: 331.29852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO8S/c1-20-11(14)10(12(15)21-2)8-5-4-7(22(3,18)19)6-9(8)13(16)17/h4-6,10H,1-3H3