(3-chlorophenyl) 3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (3-chlorophenyl) 3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (3-chlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 3-nitro-4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)-3-nitro-benzenesulfonic acid (3-chlorophenyl) ester Formula: C16H13ClN2O6S MolecularWeight: 396.80222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O6S/c17-11-3-1-4-12(9-11)25-26(23,24)13-6-7-14(15(10-13)19(21)22)18-8-2-5-16(18)20/h1,3-4,6-7,9-10H,2,5,8H2