2-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzamide

Systemtic Name: 2-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzamide Openeye Name: 2-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzamide CAS Name: 2-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzamide IUPAC Name: 2-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzamide Traditional Name: 2-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]benzamide Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c22-19(27)13-7-3-4-9-15(13)23-17(26)11-2-1-5-12-24-20(28)14-8-6-10-16(25(30)31)18(14)21(24)29/h3-4,6-10H,1-2,5,11-12H2,(H2,22,27)(H,23,26)