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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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