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

Systemtic Name: [6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid (6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C20H11N3O9S MolecularWeight: 469.38104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)ON3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)ON3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O)OC1=O

InChI

InChI=1S/C20H11N3O9S/c1-21-15-7-5-10(9-16(15)31-20(21)26)33(29,30)32-22-18(24)12-4-2-3-11-14(23(27)28)8-6-13(17(11)12)19(22)25/h2-9H,1H3