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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)[O-]

InChI

InChI=1S/C12H10N2O6/c15-9(16)5-2-6-13-11(17)7-3-1-4-8(14(19)20)10(7)12(13)18/h1,3-4H,2,5-6H2,(H,15,16)/p-1