N-(4-chloranyl-2,5-dimethoxy-phenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C22H22ClN3O7 MolecularWeight: 475.87898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C22H22ClN3O7/c1-32-17-12-15(18(33-2)11-14(17)23)24-19(27)9-4-3-5-10-25-21(28)13-7-6-8-16(26(30)31)20(13)22(25)29/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,24,27)