sodium 4-chloranyl-3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: sodium 4-chloranyl-3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: sodium 4-chloro-3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: sodium 4-chloro-3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoate IUPAC Name: sodium 4-chloro-3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: sodium 4-chloro-3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)benzoate Formula: C19H8ClN2NaO6 MolecularWeight: 418.71939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H9ClN2O6.Na/c20-14-5-4-10(19(25)26)7-15(14)21-17(23)12-3-1-2-9-6-11(22(27)28)8-13(16(9)12)18(21)24;/h1-8H,(H,25,26);/q;+1/p-1