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

Systemtic Name: N-(butylcarbamoyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[butylamino(oxo)methyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(butylcarbamoyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(butylcarbamoyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O6/c1-2-3-7-16-15(23)17-11(20)8-18-13(21)9-5-4-6-10(19(24)25)12(9)14(18)22/h4-6H,2-3,7-8H2,1H3,(H2,16,17,20,23)