(2S)-2-(6-ethanoyl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoate

Systemtic Name: (2S)-2-(6-ethanoyl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoate Openeye Name: (2S)-2-(6-acetyl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-(6-acetyl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoate IUPAC Name: (2S)-2-(6-acetyl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(6-acetyl-2,3-dihydro-1,4-benzoxazin-4-yl)butyrate Formula: C14H16NO4- MolecularWeight: 262.28114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1CCOC2=C1C=C(C=C2)C(=O)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1CCOC2=C1C=C(C=C2)C(=O)C

InChI

InChI=1S/C14H17NO4/c1-3-11(14(17)18)15-6-7-19-13-5-4-10(9(2)16)8-12(13)15/h4-5,8,11H,3,6-7H2,1-2H3,(H,17,18)/p-1/t11-/m0/s1