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

Systemtic Name: (2R)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2R)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: (2R)-2-(4-nitro-1,3-dioxo-2-isoindolyl)butanoate IUPAC Name: (2R)-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: (2R)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)butyrate Formula: C12H9N2O6- MolecularWeight: 277.20966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O6/c1-2-7(12(17)18)13-10(15)6-4-3-5-8(14(19)20)9(6)11(13)16/h3-5,7H,2H2,1H3,(H,17,18)/p-1/t7-/m1/s1