4-[2,3-bis(oxidanyl)propyl]-7-bromanyl-6-chloranyl-2-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl]-7-bromanyl-6-chloranyl-2-methyl-1,4-benzoxazin-3-one Openeye Name: 7-bromo-6-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one CAS Name: 7-bromo-6-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one IUPAC Name: 7-bromo-6-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one Traditional Name: 7-bromo-6-chloro-4-glyceryl-2-methyl-1,4-benzoxazin-3-one Formula: C12H13BrClNO4 MolecularWeight: 350.59292

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC(=C(C=C2O1)Br)Cl)CC(CO)O

Isomeric SMILES

CC1C(=O)N(C2=CC(=C(C=C2O1)Br)Cl)CC(CO)O

InChI

InChI=1S/C12H13BrClNO4/c1-6-12(18)15(4-7(17)5-16)10-3-9(14)8(13)2-11(10)19-6/h2-3,6-7,16-17H,4-5H2,1H3