2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C12H9BrN4O5 MolecularWeight: 369.12766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN4O5/c13-11-14-12(17(19)20)15-16(11)6-8(18)7-1-2-9-10(5-7)22-4-3-21-9/h1-2,5H,3-4,6H2