2-(1,3-benzodioxol-5-yl)-3-methoxy-cyclopent-2-en-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-methoxy-cyclopent-2-en-1-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-methoxy-cyclopent-2-en-1-one CAS Name: 2-(1,3-benzodioxol-5-yl)-3-methoxy-1-cyclopent-2-enone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-methoxycyclopent-2-en-1-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-methoxy-cyclopent-2-en-1-one Formula: C13H12O4 MolecularWeight: 232.23198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)CC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C(=O)CC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12O4/c1-15-11-5-3-9(14)13(11)8-2-4-10-12(6-8)17-7-16-10/h2,4,6H,3,5,7H2,1H3