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

Systemtic Name: N-(4-butylphenyl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(4-butylphenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(4-butylphenyl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(4-butylphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-(4-butylphenyl)-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5/c1-2-3-8-17-12-14-18(15-13-17)25-21(28)11-5-4-6-16-26-23(29)19-9-7-10-20(27(31)32)22(19)24(26)30/h7,9-10,12-15H,2-6,8,11,16H2,1H3,(H,25,28)