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

Systemtic Name: N-(ethylcarbamoyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(ethylcarbamoyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(ethylcarbamoyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(ethylcarbamoyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(ethylcarbamoyl)acetamide Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6/c1-2-14-13(21)15-9(18)6-16-11(19)7-4-3-5-8(17(22)23)10(7)12(16)20/h3-5H,2,6H2,1H3,(H2,14,15,18,21)