(4E)-2-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]oxazol-5-one CAS Name: (4E)-2-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-oxazolin-5-one Formula: C15H14N2O6 MolecularWeight: 318.28146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O1

Isomeric SMILES

CC(C)(C)C1=N/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C(=O)O1

InChI

InChI=1S/C15H14N2O6/c1-15(2,3)14-16-9(13(18)23-14)4-8-5-11-12(22-7-21-11)6-10(8)17(19)20/h4-6H,7H2,1-3H3/b9-4+