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

Systemtic Name: 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: 4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyramide Formula: C12H11N3O5 MolecularWeight: 277.23284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c13-9(16)5-2-6-14-11(17)7-3-1-4-8(15(19)20)10(7)12(14)18/h1,3-4H,2,5-6H2,(H2,13,16)