2-[(2S)-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-(3-hydroxypropyl)-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C13H14NO5- MolecularWeight: 264.25396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)CC(=O)[O-])CCCO

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)[C@@H](O2)CC(=O)[O-])CCCO

InChI

InChI=1S/C13H15NO5/c15-7-3-6-14-9-4-1-2-5-10(9)19-11(13(14)18)8-12(16)17/h1-2,4-5,11,15H,3,6-8H2,(H,16,17)/p-1/t11-/m0/s1