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

Systemtic Name: methyl (2S)-2-[6-(2-chloranylethanoyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO5/c1-8(14(19)20-2)16-10-5-9(11(17)6-15)3-4-12(10)21-7-13(16)18/h3-5,8H,6-7H2,1-2H3/t8-/m0/s1