sodium 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: sodium 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: sodium 3-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: sodium 3-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)butanoate IUPAC Name: sodium 3-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: sodium 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-methyl-butyrate Formula: C13H11N2NaO6 MolecularWeight: 314.22601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H12N2O6.Na/c1-6(2)10(13(18)19)14-11(16)7-4-3-5-8(15(20)21)9(7)12(14)17;/h3-6,10H,1-2H3,(H,18,19);/q;+1/p-1