sodium 3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: sodium 3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: sodium 3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: sodium 3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoate IUPAC Name: sodium 3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: sodium 3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)benzoate Formula: C19H9N2NaO6 MolecularWeight: 384.27433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C19H10N2O6.Na/c22-17-14-6-2-3-10-7-13(21(26)27)9-15(16(10)14)18(23)20(17)12-5-1-4-11(8-12)19(24)25;/h1-9H,(H,24,25);/q;+1/p-1