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

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl]-2-ethyl-1,4-benzoxazin-3-one Openeye Name: 4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one CAS Name: 4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one IUPAC Name: 4-(2,3-dihydroxypropyl)-2-ethyl-1,4-benzoxazin-3-one Traditional Name: 2-ethyl-4-glyceryl-1,4-benzoxazin-3-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CC=CC=C2O1)CC(CO)O

Isomeric SMILES

CCC1C(=O)N(C2=CC=CC=C2O1)CC(CO)O

InChI

InChI=1S/C13H17NO4/c1-2-11-13(17)14(7-9(16)8-15)10-5-3-4-6-12(10)18-11/h3-6,9,11,15-16H,2,7-8H2,1H3