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

Systemtic Name: 2-[(2S)-6-chloranyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-chloro-4-isopropyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-chloro-3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-4-isopropyl-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C13H13ClNO4- MolecularWeight: 282.69962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CC(C)N1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C13H14ClNO4/c1-7(2)15-9-5-8(14)3-4-10(9)19-11(13(15)18)6-12(16)17/h3-5,7,11H,6H2,1-2H3,(H,16,17)/p-1/t11-/m0/s1