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

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-3-ethanoyl-6-methyl-pyran-4-one Openeye Name: 3-acetyl-2-(1,3-benzodioxol-5-ylamino)-6-methyl-pyran-4-one CAS Name: 3-acetyl-2-(1,3-benzodioxol-5-ylamino)-6-methyl-4-pyranone IUPAC Name: 3-acetyl-2-(1,3-benzodioxol-5-ylamino)-6-methylpyran-4-one Traditional Name: 3-acetyl-2-(1,3-benzodioxol-5-ylamino)-6-methyl-pyran-4-one Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)NC2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CC1=CC(=O)C(=C(O1)NC2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C15H13NO5/c1-8-5-11(18)14(9(2)17)15(21-8)16-10-3-4-12-13(6-10)20-7-19-12/h3-6,16H,7H2,1-2H3