4-[2,3-bis(oxidanyl)propyl]-2-ethyl-3,4a-dihydro-2H-1,4-benzoxazin-5-one

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl]-2-ethyl-3,4a-dihydro-2H-1,4-benzoxazin-5-one Openeye Name: 4-(2,3-dihydroxypropyl)-2-ethyl-3,4a-dihydro-2H-1,4-benzoxazin-5-one CAS Name: 4-(2,3-dihydroxypropyl)-2-ethyl-3,4a-dihydro-2H-1,4-benzoxazin-5-one IUPAC Name: 4-(2,3-dihydroxypropyl)-2-ethyl-3,4a-dihydro-2H-1,4-benzoxazin-5-one Traditional Name: 2-ethyl-4-glyceryl-3,4a-dihydro-2H-1,4-benzoxazin-5-one Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2C(=O)C=CC=C2O1)CC(CO)O

Isomeric SMILES

CCC1CN(C2C(=O)C=CC=C2O1)CC(CO)O

InChI

InChI=1S/C13H19NO4/c1-2-10-7-14(6-9(16)8-15)13-11(17)4-3-5-12(13)18-10/h3-5,9-10,13,15-16H,2,6-8H2,1H3