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

Systemtic Name: sodium 4-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: sodium 4-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoate CAS Name: sodium 4-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoate IUPAC Name: sodium 4-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: sodium 4-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)butyrate Formula: C16H11N2NaO6 MolecularWeight: 350.25811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6.Na/c19-13(20)5-2-6-17-15(21)11-4-1-3-9-7-10(18(23)24)8-12(14(9)11)16(17)22;/h1,3-4,7-8H,2,5-6H2,(H,19,20);/q;+1/p-1