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

Systemtic Name: 3-[[6-bromanyl-2-(methoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-4-yl]oxy]-1H-pyridazin-6-one Openeye Name: 3-[6-bromo-3-hydroxy-2-(methoxymethyl)-2-methyl-chroman-4-yl]oxy-1H-pyridazin-6-one CAS Name: 3-[[6-bromo-3-hydroxy-2-(methoxymethyl)-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1H-pyridazin-6-one IUPAC Name: 3-[[6-bromo-3-hydroxy-2-(methoxymethyl)-2-methyl-3,4-dihydrochromen-4-yl]oxy]-1H-pyridazin-6-one Traditional Name: 3-[6-bromo-3-hydroxy-2-(methoxymethyl)-2-methyl-chroman-4-yl]oxy-1H-pyridazin-6-one Formula: C16H17BrN2O5 MolecularWeight: 397.22058

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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)O)COC

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O5/c1-16(8-22-2)15(21)14(23-13-6-5-12(20)18-19-13)10-7-9(17)3-4-11(10)24-16/h3-7,14-15,21H,8H2,1-2H3,(H,18,20)