1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-oxidanyl-3-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]pyridin-4-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-oxidanyl-3-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]pyridin-4-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-isobenzofuran-1-yl]pyridin-4-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-4-pyridinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-6-methyl-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyridin-4-one Traditional Name: 2-hydroxy-3-[(1R)-3-ketophthalan-1-yl]-6-methyl-1-piperonyl-4-pyridone Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)C4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)[C@H]4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C22H17NO6/c1-12-8-16(24)19(20-14-4-2-3-5-15(14)22(26)29-20)21(25)23(12)10-13-6-7-17-18(9-13)28-11-27-17/h2-9,20,25H,10-11H2,1H3/t20-/m1/s1