3-[2-cyanoethyl-(5,6-dinitro-1H-benzimidazol-2-yl)amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-(5,6-dinitro-1H-benzimidazol-2-yl)amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-(5,6-dinitro-1H-benzimidazol-2-yl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-(5,6-dinitro-1H-benzimidazol-2-yl)amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-(5,6-dinitro-1H-benzimidazol-2-yl)amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-(5,6-dinitro-1H-benzimidazol-2-yl)amino]propionitrile Formula: C13H11N7O4 MolecularWeight: 329.27094

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])N=C(N2)N(CCC#N)CCC#N

Isomeric SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])N=C(N2)N(CCC#N)CCC#N

InChI

InChI=1S/C13H11N7O4/c14-3-1-5-18(6-2-4-15)13-16-9-7-11(19(21)22)12(20(23)24)8-10(9)17-13/h7-8H,1-2,5-6H2,(H,16,17)