(2R)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: (2R)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (2R)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: (2R)-2-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoate IUPAC Name: (2R)-2-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: (2R)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoate Formula: C14H13N2O6- MolecularWeight: 305.26282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-2-3-6-10(14(19)20)15-12(17)8-5-4-7-9(16(21)22)11(8)13(15)18/h4-5,7,10H,2-3,6H2,1H3,(H,19,20)/p-1/t10-/m1/s1