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

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl]-6-bromanyl-2-ethyl-1,4-benzoxazin-3-one Openeye Name: 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one CAS Name: 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one IUPAC Name: 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one Traditional Name: 6-bromo-2-ethyl-4-glyceryl-1,4-benzoxazin-3-one Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Br)CC(CO)O

Isomeric SMILES

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Br)CC(CO)O

InChI

InChI=1S/C13H16BrNO4/c1-2-11-13(18)15(6-9(17)7-16)10-5-8(14)3-4-12(10)19-11/h3-5,9,11,16-17H,2,6-7H2,1H3