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

Systemtic Name: propan-2-yl (2S)-2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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