3-[[6-(hydroxymethyl)-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]-1H-pyridazin-6-one

Systemtic Name: 3-[[6-(hydroxymethyl)-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]-1H-pyridazin-6-one Openeye Name: 3-[3-hydroxy-6-(hydroxymethyl)-2,2,3-trimethyl-chroman-4-yl]oxy-1H-pyridazin-6-one CAS Name: 3-[[3-hydroxy-6-(hydroxymethyl)-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1H-pyridazin-6-one IUPAC Name: 3-[[3-hydroxy-6-(hydroxymethyl)-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-1H-pyridazin-6-one Traditional Name: 3-(3-hydroxy-2,2,3-trimethyl-6-methylol-chroman-4-yl)oxy-1H-pyridazin-6-one Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)CO)OC3=NNC(=O)C=C3)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)CO)OC3=NNC(=O)C=C3)(C)O)C

InChI

InChI=1S/C17H20N2O5/c1-16(2)17(3,22)15(23-14-7-6-13(21)18-19-14)11-8-10(9-20)4-5-12(11)24-16/h4-8,15,20,22H,9H2,1-3H3,(H,18,21)