[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 1,3-dimethyl-2-oxidanylidene-benzimidazole-5-sulfonate

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 1,3-dimethyl-2-oxidanylidene-benzimidazole-5-sulfonate Openeye Name: (5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 1,3-dimethyl-2-oxo-benzimidazole-5-sulfonate CAS Name: 1,3-dimethyl-2-oxo-5-benzimidazolesulfonic acid (5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl) 1,3-dimethyl-2-oxobenzimidazole-5-sulfonate Traditional Name: 2-keto-1,3-dimethyl-benzimidazole-5-sulfonic acid (1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C21H14N4O8S MolecularWeight: 482.42286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)ON3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)ON3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])N(C1=O)C

InChI

InChI=1S/C21H14N4O8S/c1-22-16-7-6-13(10-17(16)23(2)21(22)28)34(31,32)33-24-19(26)14-5-3-4-11-8-12(25(29)30)9-15(18(11)14)20(24)27/h3-10H,1-2H3