4-(1,3-benzodioxol-5-ylamino)-5-bromanyl-1H-pyridazin-6-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-5-bromanyl-1H-pyridazin-6-one Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-5-bromo-1H-pyridazin-6-one CAS Name: 4-(1,3-benzodioxol-5-ylamino)-5-bromo-1H-pyridazin-6-one IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-5-bromo-1H-pyridazin-6-one Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-5-bromo-1H-pyridazin-6-one Formula: C11H8BrN3O3 MolecularWeight: 310.10352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=O)NN=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=O)NN=C3)Br

InChI

InChI=1S/C11H8BrN3O3/c12-10-7(4-13-15-11(10)16)14-6-1-2-8-9(3-6)18-5-17-8/h1-4H,5H2,(H2,14,15,16)