N,N-bis(2-cyanoethyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-(1,3-diketo-4-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/c17-6-2-8-19(9-3-7-18)13(22)10-20-15(23)11-4-1-5-12(21(25)26)14(11)16(20)24/h1,4-5H,2-3,8-10H2