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

Systemtic Name: 2-[(2S)-4-ethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-ethyl-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C12H12NO4- MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-2-13-8-5-3-4-6-9(8)17-10(12(13)16)7-11(14)15/h3-6,10H,2,7H2,1H3,(H,14,15)/p-1/t10-/m0/s1