[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: (5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid (5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl) 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-6-methyl-1,3-dihydrobenzimidazole-5-sulfonic acid (1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C20H12N4O8S MolecularWeight: 468.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)ON3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])NC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)ON3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])NC(=O)N2

InChI

InChI=1S/C20H12N4O8S/c1-9-5-14-15(22-20(27)21-14)8-16(9)33(30,31)32-23-18(25)12-4-2-3-10-6-11(24(28)29)7-13(17(10)12)19(23)26/h2-8H,1H3,(H2,21,22,27)