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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(2-ethyl-6-methylphenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-ethyl-6-methyl-phenyl)hexanamide Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N3O5/c1-3-16-10-7-9-15(2)21(16)24-19(27)13-5-4-6-14-25-22(28)17-11-8-12-18(26(30)31)20(17)23(25)29/h7-12H,3-6,13-14H2,1-2H3,(H,24,27)