2-(1,3-benzodioxol-5-ylmethylamino)-3-ethanoyl-6-methyl-pyran-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-ethanoyl-6-methyl-pyran-4-one Openeye Name: 3-acetyl-2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-pyran-4-one CAS Name: 3-acetyl-2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-pyranone IUPAC Name: 3-acetyl-2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyran-4-one Traditional Name: 3-acetyl-6-methyl-2-(piperonylamino)pyran-4-one Formula: C16H15NO5 MolecularWeight: 301.294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)NCC2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CC1=CC(=O)C(=C(O1)NCC2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C16H15NO5/c1-9-5-12(19)15(10(2)18)16(22-9)17-7-11-3-4-13-14(6-11)21-8-20-13/h3-6,17H,7-8H2,1-2H3