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

Systemtic Name: 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)hexanamide Openeye Name: N-benzyl-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)-N-(phenylmethyl)hexanamide IUPAC Name: N-benzyl-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: N-benzyl-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c25-18(22-14-15-8-3-1-4-9-15)12-5-2-6-13-23-20(26)16-10-7-11-17(24(28)29)19(16)21(23)27/h1,3-4,7-11H,2,5-6,12-14H2,(H,22,25)