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

Systemtic Name: butyl (2S)-2-[6-(2-chloranylethanoyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: butyl (2S)-2-[6-(2-chloroacetyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[6-(2-chloro-1-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-[6-(2-chloroacetyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[6-(2-chloroacetyl)-3-keto-1,4-benzoxazin-4-yl]propionic acid butyl ester Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

Isomeric SMILES

CCCCOC(=O)[C@H](C)N1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

InChI

InChI=1S/C17H20ClNO5/c1-3-4-7-23-17(22)11(2)19-13-8-12(14(20)9-18)5-6-15(13)24-10-16(19)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m0/s1