(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1,3-oxazol-5-one

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1,3-oxazol-5-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-oxazol-5-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1,3-oxazol-5-one Traditional Name: (4E)-2-methyl-4-piperonylidene-2-oxazolin-5-one Formula: C12H9NO4 MolecularWeight: 231.20416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)O1

Isomeric SMILES

CC1=N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)O1

InChI

InChI=1S/C12H9NO4/c1-7-13-9(12(14)17-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-5H,6H2,1H3/b9-4+