N-(2-methylpropylcarbamoyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(isobutylcarbamoyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(isobutylcarbamoyl)acetamide Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O6/c1-8(2)6-16-15(23)17-12(20)7-18-13(21)10-4-3-9(19(24)25)5-11(10)14(18)22/h3-5,8H,6-7H2,1-2H3,(H2,16,17,20,23)