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

Systemtic Name: 2-methylpropyl (2S)-2-[6-(2-chloranylethanoyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: isobutyl (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 2-methylpropyl ester IUPAC Name: 2-methylpropyl (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 isobutyl ester Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO5/c1-10(2)8-24-17(22)11(3)19-13-6-12(14(20)7-18)4-5-15(13)23-9-16(19)21/h4-6,10-11H,7-9H2,1-3H3/t11-/m0/s1