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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC)N1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO5/c1-3-7-23-17(22)12(4-2)19-13-8-11(14(20)9-18)5-6-15(13)24-10-16(19)21/h5-6,8,12H,3-4,7,9-10H2,1-2H3/t12-/m0/s1