3-[2-chloranylethanoyl-(2,6-dimethylphenyl)amino]propanoic acid

Systemtic Name: 3-[2-chloranylethanoyl-(2,6-dimethylphenyl)amino]propanoic acid Openeye Name: 3-(N-(2-chloroacetyl)-2,6-dimethyl-anilino)propanoic acid CAS Name: 3-(N-(2-chloro-1-oxoethyl)-2,6-dimethylanilino)propanoic acid IUPAC Name: 3-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoic acid Traditional Name: 3-(N-(2-chloroacetyl)-2,6-dimethyl-anilino)propionic acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CCC(=O)O)C(=O)CCl

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CCC(=O)O)C(=O)CCl

InChI

InChI=1S/C13H16ClNO3/c1-9-4-3-5-10(2)13(9)15(11(16)8-14)7-6-12(17)18/h3-5H,6-8H2,1-2H3,(H,17,18)