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

Systemtic Name: N-(3,4-dimethoxyphenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(3,4-dimethoxyphenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(3,4-dimethoxyphenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(3,4-dimethoxyphenyl)hexanamide Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N3O7/c1-31-17-11-10-14(13-18(17)32-2)23-19(26)9-4-3-5-12-24-21(27)15-7-6-8-16(25(29)30)20(15)22(24)28/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,23,26)