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

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C16H13N5O5 MolecularWeight: 355.30492

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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)N(CCC#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O5/c17-5-1-7-19(8-2-6-18)14(22)10-20-15(23)12-4-3-11(21(25)26)9-13(12)16(20)24/h3-4,9H,1-2,7-8,10H2