2-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-piperonyl-1H-pyrimidin-6-one Formula: C12H9N3O6 MolecularWeight: 291.21636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C12H9N3O6/c16-11-10(15(18)19)12(17)14-9(13-11)4-6-1-2-7-8(3-6)21-5-20-7/h1-3H,4-5H2,(H2,13,14,16,17)