propyl (2S)-2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: propyl (2S)-2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: propyl (2S)-2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[6-(2-chloro-1-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid propyl ester IUPAC Name: propyl (2S)-2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[6-(2-chloroacetyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]propionic acid propyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)(C)C

Isomeric SMILES

CCCOC(=O)[C@H](C)N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)(C)C

InChI

InChI=1S/C18H22ClNO5/c1-5-8-24-16(22)11(2)20-13-9-12(14(21)10-19)6-7-15(13)25-18(3,4)17(20)23/h6-7,9,11H,5,8,10H2,1-4H3/t11-/m0/s1