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

Systemtic Name: 2-[(2S)-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-isobutyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-isobutyl-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C14H16NO4- MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C14H17NO4/c1-9(2)8-15-10-5-3-4-6-11(10)19-12(14(15)18)7-13(16)17/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)/p-1/t12-/m0/s1