2-[(2S)-4-(2-hydroxyethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-4-(2-hydroxyethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-(2-hydroxyethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-(2-hydroxyethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-(2-hydroxyethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-(2-hydroxyethyl)-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetate Formula: C13H14NO5- MolecularWeight: 264.25396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)[O-])CCO

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)[O-])CCO

InChI

InChI=1S/C13H15NO5/c1-8-2-3-9-10(6-8)19-11(7-12(16)17)13(18)14(9)4-5-15/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)/p-1/t11-/m0/s1