sodium 6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: sodium 6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: sodium 6-(5-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: sodium 6-(5-nitro-1,3-dioxo-2-isoindolyl)hexanoate IUPAC Name: sodium 6-(5-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: sodium 6-(1,3-diketo-5-nitro-isoindolin-2-yl)hexanoate Formula: C14H13N2NaO6 MolecularWeight: 328.25259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C14H14N2O6.Na/c17-12(18)4-2-1-3-7-15-13(19)10-6-5-9(16(21)22)8-11(10)14(15)20;/h5-6,8H,1-4,7H2,(H,17,18);/q;+1/p-1