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

Systemtic Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one Openeye Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-(3,4,5-trimethoxyphenyl)oxazol-5-one CAS Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-5-oxazolone IUPAC Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one Traditional Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-(3,4,5-trimethoxyphenyl)-2-oxazolin-5-one Formula: C20H16N2O9 MolecularWeight: 428.34904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

InChI

InChI=1S/C20H16N2O9/c1-26-16-6-11(7-17(27-2)18(16)28-3)19-21-12(20(23)31-19)4-10-5-14-15(30-9-29-14)8-13(10)22(24)25/h4-8H,9H2,1-3H3