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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-14-10-11-15(13-18(14)24(28)29)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)