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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO5/c1-5-12(16(22)24-6-2)20-13-9-11(14(21)10-19)7-8-15(13)25-18(3,4)17(20)23/h7-9,12H,5-6,10H2,1-4H3/t12-/m0/s1