(2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-hydroxybutanoate Traditional Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-hydroxy-butyrate Formula: C13H14NO6- MolecularWeight: 280.25336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)OCCO2)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC2=C(C=C1)OCCO2)O

InChI

InChI=1S/C13H15NO6/c1-7(15)11(13(17)18)14-12(16)8-2-3-9-10(6-8)20-5-4-19-9/h2-3,6-7,11,15H,4-5H2,1H3,(H,14,16)(H,17,18)/p-1/t7-,11-/m0/s1