4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: 4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: 4-(5-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: 4-(5-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-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/c13-10(16)2-1-5-14-11(17)8-4-3-7(15(19)20)6-9(8)12(14)18/h3-4,6H,1-2,5H2,(H2,13,16)