2-(4-iodanylbutyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one

Systemtic Name: 2-(4-iodanylbutyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one Openeye Name: 2-(4-iodobutyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one CAS Name: 2-(4-iodobutyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one IUPAC Name: 2-(4-iodobutyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one Traditional Name: 2-(4-iodobutyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one Formula: C13H14IN3O2 MolecularWeight: 371.17363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN(C(=O)N2C3=CC=CC=C3O1)CCCCI

Isomeric SMILES

C1C2=NN(C(=O)N2C3=CC=CC=C3O1)CCCCI

InChI

InChI=1S/C13H14IN3O2/c14-7-3-4-8-16-13(18)17-10-5-1-2-6-11(10)19-9-12(17)15-16/h1-2,5-6H,3-4,7-9H2