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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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