(2S)-2-[(1S)-1-oxidanylbutyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-[(1S)-1-oxidanylbutyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[(1S)-1-hydroxybutyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[(1S)-1-hydroxybutyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[(1S)-1-hydroxybutyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[(1S)-1-hydroxybutyl]-4H-1,4-benzoxazin-3-one Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1C(=O)NC2=CC=CC=C2O1)O

Isomeric SMILES

CCC[C@@H]([C@H]1C(=O)NC2=CC=CC=C2O1)O

InChI

InChI=1S/C12H15NO3/c1-2-5-9(14)11-12(15)13-8-6-3-4-7-10(8)16-11/h3-4,6-7,9,11,14H,2,5H2,1H3,(H,13,15)/t9-,11-/m0/s1