3-[[6-bromanyl-2-(methoxymethyl)-2,3-dimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]-1H-pyridazin-6-one

Systemtic Name: 3-[[6-bromanyl-2-(methoxymethyl)-2,3-dimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]-1H-pyridazin-6-one Openeye Name: 3-[6-bromo-3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-chroman-4-yl]oxy-1H-pyridazin-6-one CAS Name: 3-[[6-bromo-3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1H-pyridazin-6-one IUPAC Name: 3-[[6-bromo-3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-4H-chromen-4-yl]oxy]-1H-pyridazin-6-one Traditional Name: 3-[6-bromo-3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-chroman-4-yl]oxy-1H-pyridazin-6-one Formula: C17H19BrN2O5 MolecularWeight: 411.24716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O5/c1-16(9-23-3)17(2,22)15(24-14-7-6-13(21)19-20-14)11-8-10(18)4-5-12(11)25-16/h4-8,15,22H,9H2,1-3H3,(H,19,21)