(4-methyl-2-nitro-phenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c1-12-4-9-16(15(11-12)19(21)22)25-26(23,24)14-7-5-13(6-8-14)18-10-2-3-17(18)20/h4-9,11H,2-3,10H2,1H3