2-[(2S)-4-ethyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]ethanoate

Systemtic Name: 2-[(2S)-4-ethyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]ethanoate Openeye Name: 2-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]acetate CAS Name: 2-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]acetate IUPAC Name: 2-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]acetate Traditional Name: 2-[(2S)-4-ethyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]acetate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)CC(=O)[O-])OC(C1=O)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)CC(=O)[O-])O[C@H](C1=O)C

InChI

InChI=1S/C13H15NO4/c1-3-14-10-6-9(7-12(15)16)4-5-11(10)18-8(2)13(14)17/h4-6,8H,3,7H2,1-2H3,(H,15,16)/p-1/t8-/m0/s1