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

Systemtic Name: methyl (2S)-2-[(2S)-6-(2-chloranylethanoyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C15H16ClNO5 MolecularWeight: 325.74424

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO5/c1-8(15(20)21-3)17-11-6-10(12(18)7-16)4-5-13(11)22-9(2)14(17)19/h4-6,8-9H,7H2,1-3H3/t8-,9-/m0/s1