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

Systemtic Name: N-(4-methylphenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-(p-tolyl)hexanamide CAS Name: N-(4-methylphenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(4-methylphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(p-tolyl)hexanamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-14-9-11-15(12-10-14)22-18(25)8-3-2-4-13-23-20(26)16-6-5-7-17(24(28)29)19(16)21(23)27/h5-7,9-12H,2-4,8,13H2,1H3,(H,22,25)