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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid 2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-6-methyl-1,3-dihydrobenzimidazole-5-sulfonic acid 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C22H16N4O8S MolecularWeight: 496.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)OCCN3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])NC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)OCCN3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])NC(=O)N2

InChI

InChI=1S/C22H16N4O8S/c1-11-7-16-17(24-22(29)23-16)10-18(11)35(32,33)34-6-5-25-20(27)14-4-2-3-12-8-13(26(30)31)9-15(19(12)14)21(25)28/h2-4,7-10H,5-6H2,1H3,(H2,23,24,29)