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

Systemtic Name: 2-[(2S)-4-hexyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-hexyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-hexyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-hexyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-hexyl-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-2-3-4-7-10-17-12-8-5-6-9-13(12)21-14(16(17)20)11-15(18)19/h5-6,8-9,14H,2-4,7,10-11H2,1H3,(H,18,19)/p-1/t14-/m0/s1