2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(1-phenylbutyl)ethanamide

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(1-phenylbutyl)ethanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-(1-phenylbutyl)acetamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-(1-phenylbutyl)acetamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(1-phenylbutyl)acetamide Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-2-7-15(13-8-4-3-5-9-13)21-17(24)12-22-19(25)14-10-6-11-16(23(27)28)18(14)20(22)26/h3-6,8-11,15H,2,7,12H2,1H3,(H,21,24)