(2,4-dichlorophenyl) 3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (2,4-dichlorophenyl) 3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (2,4-dichlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 3-nitro-4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (2,4-dichlorophenyl) ester IUPAC Name: (2,4-dichlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)-3-nitro-benzenesulfonic acid (2,4-dichlorophenyl) ester Formula: C16H12Cl2N2O6S MolecularWeight: 431.24728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12Cl2N2O6S/c17-10-3-6-15(12(18)8-10)26-27(24,25)11-4-5-13(14(9-11)20(22)23)19-7-1-2-16(19)21/h3-6,8-9H,1-2,7H2