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

Systemtic Name: (2-chlorophenyl) 3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (2-chlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 3-nitro-4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)-3-nitro-benzenesulfonic acid (2-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=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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