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

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(2-cyanoethyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-methyl-acetamide Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O5/c1-16(6-2-5-15)12(19)8-17-13(20)10-4-3-9(18(22)23)7-11(10)14(17)21/h3-4,7H,2,6,8H2,1H3