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

Systemtic Name: propan-2-yl (2S)-2-[(2S)-6-(2-chloranylethanoyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: isopropyl (2S)-2-[(2S)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-6-(2-chloro-1-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[(2S)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-(2-chloroacetyl)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid isopropyl ester Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)C(C)C(=O)OC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)[C@@H](C)C(=O)OC(C)C

InChI

InChI=1S/C17H20ClNO5/c1-9(2)23-17(22)10(3)19-13-7-12(14(20)8-18)5-6-15(13)24-11(4)16(19)21/h5-7,9-11H,8H2,1-4H3/t10-,11-/m0/s1