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

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(isoamylcarbamoyl)acetamide Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O6/c1-9(2)5-6-17-16(24)18-13(21)8-19-14(22)11-4-3-10(20(25)26)7-12(11)15(19)23/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18,21,24)