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

Systemtic Name: 2-[(2S)-6-chloranyl-4-hexyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-chloro-4-hexyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-4-hexyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-chloro-4-hexyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-4-hexyl-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C16H19ClNO4- MolecularWeight: 324.77936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C16H20ClNO4/c1-2-3-4-5-8-18-12-9-11(17)6-7-13(12)22-14(16(18)21)10-15(19)20/h6-7,9,14H,2-5,8,10H2,1H3,(H,19,20)/p-1/t14-/m0/s1