sodium 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: sodium 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: sodium 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: sodium 2-(5-nitro-1,3-dioxo-2-isoindolyl)propanoate IUPAC Name: sodium 2-(5-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: sodium 2-(1,3-diketo-5-nitro-isoindolin-2-yl)propionate Formula: C11H7N2NaO6 MolecularWeight: 286.17285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O6.Na/c1-5(11(16)17)12-9(14)7-3-2-6(13(18)19)4-8(7)10(12)15;/h2-5H,1H3,(H,16,17);/q;+1/p-1