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

Systemtic Name: N-(2-cyanoethyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(2-cyanoethyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(2-cyanoethyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C13H10N4O5 MolecularWeight: 302.2423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NCCC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NCCC#N

InChI

InChI=1S/C13H10N4O5/c14-4-1-5-15-11(18)7-16-12(19)9-3-2-8(17(21)22)6-10(9)13(16)20/h2-3,6H,1,5,7H2,(H,15,18)