N-(3-ethanoylphenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide

Systemtic Name: N-(3-ethanoylphenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(3-acetylphenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(3-acetylphenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(3-acetylphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-(3-acetylphenyl)-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c1-14(26)15-7-5-8-16(13-15)23-19(27)11-3-2-4-12-24-21(28)17-9-6-10-18(25(30)31)20(17)22(24)29/h5-10,13H,2-4,11-12H2,1H3,(H,23,27)