3H-benzimidazol-5-yl-(2-isocyanoaziridin-1-yl)methanone

Systemtic Name: 3H-benzimidazol-5-yl-(2-isocyanoaziridin-1-yl)methanone Openeye Name: 3H-benzimidazol-5-yl-(2-isocyanoaziridin-1-yl)methanone CAS Name: 3H-benzimidazol-5-yl-(2-isocyano-1-aziridinyl)methanone IUPAC Name: 3H-benzimidazol-5-yl-(2-isocyanoaziridin-1-yl)methanone Traditional Name: 3H-benzimidazol-5-yl-(2-isocyanoethylenimin-1-yl)methanone Formula: C11H8N4O MolecularWeight: 212.20742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1CN1C(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

[C-]#[N+]C1CN1C(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C11H8N4O/c1-12-10-5-15(10)11(16)7-2-3-8-9(4-7)14-6-13-8/h2-4,6,10H,5H2,(H,13,14)