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

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methyl-4-nitro-phenyl)hexanamide Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)-N-(2-methyl-4-nitro-phenyl)hexanamide CAS Name: 6-(1,3-dioxo-2-isoindolyl)-N-(2-methyl-4-nitrophenyl)hexanamide IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)hexanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-6-phthalimido-hexanamide Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O5/c1-14-13-15(24(28)29)10-11-18(14)22-19(25)9-3-2-6-12-23-20(26)16-7-4-5-8-17(16)21(23)27/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,22,25)