[5-(dimethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl] 4-nitrobenzenesulfonate

Systemtic Name: [5-(dimethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl] 4-nitrobenzenesulfonate Openeye Name: [5-(dimethylamino)-1,3-dioxo-isoindolin-2-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [5-(dimethylamino)-1,3-dioxo-2-isoindolyl] ester IUPAC Name: [5-(dimethylamino)-1,3-dioxoisoindol-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-(dimethylamino)-1,3-diketo-isoindolin-2-yl] ester Formula: C16H13N3O7S MolecularWeight: 391.35532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7S/c1-17(2)11-5-8-13-14(9-11)16(21)18(15(13)20)26-27(24,25)12-6-3-10(4-7-12)19(22)23/h3-9H,1-2H3