N-(1,3-benzodioxol-5-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-nitro-isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-methyl-4-nitro-isoxazole-3-carboxamide Formula: C12H9N3O6 MolecularWeight: 291.21636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O6/c1-6-11(15(17)18)10(14-21-6)12(16)13-7-2-3-8-9(4-7)20-5-19-8/h2-4H,5H2,1H3,(H,13,16)