(2R)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoic acid

Systemtic Name: (2R)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoic acid Openeye Name: (2R)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)hexanoic acid CAS Name: (2R)-2-(5-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid IUPAC Name: (2R)-2-(5-nitro-1,3-dioxoisoindol-2-yl)hexanoic acid Traditional Name: (2R)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)hexanoic acid Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c1-2-3-4-11(14(19)20)15-12(17)9-6-5-8(16(21)22)7-10(9)13(15)18/h5-7,11H,2-4H2,1H3,(H,19,20)/t11-/m1/s1