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

Systemtic Name: [6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate Openeye Name: (6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 2-oxo-3H-1,3-benzoxazole-6-sulfonate CAS Name: 2-oxo-3H-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) 2-oxo-3H-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3H-1,3-benzoxazole-6-sulfonic acid (1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C19H9N3O9S MolecularWeight: 455.35446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5)[N+](=O)[O-]

InChI

InChI=1S/C19H9N3O9S/c23-17-11-3-1-2-10-14(22(26)27)7-5-12(16(10)11)18(24)21(17)31-32(28,29)9-4-6-13-15(8-9)30-19(25)20-13/h1-8H,(H,20,25)