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

Systemtic Name: ethyl (2S)-2-[6-(2-chloranylethanoyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO5/c1-3-11(16(21)22-4-2)18-12-7-10(13(19)8-17)5-6-14(12)23-9-15(18)20/h5-7,11H,3-4,8-9H2,1-2H3/t11-/m0/s1