methyl (2S,3R)-2-acetamido-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoate

Systemtic Name: methyl (2S,3R)-2-acetamido-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoate Openeye Name: methyl (2S,3R)-2-acetamido-3-(3-chloro-4-hydroxy-phenyl)-3-hydroxy-propanoate CAS Name: (2S,3R)-2-acetamido-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-acetamido-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoate Traditional Name: (2S,3R)-2-acetamido-3-(3-chloro-4-hydroxy-phenyl)-3-hydroxy-propionic acid methyl ester Formula: C12H14ClNO5 MolecularWeight: 287.69626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CC(=C(C=C1)O)Cl)O)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H]([C@@H](C1=CC(=C(C=C1)O)Cl)O)C(=O)OC

InChI

InChI=1S/C12H14ClNO5/c1-6(15)14-10(12(18)19-2)11(17)7-3-4-9(16)8(13)5-7/h3-5,10-11,16-17H,1-2H3,(H,14,15)/t10-,11+/m0/s1