3-[[2-chloranyl-4-(1-methoxy-1-oxidanylidene-propan-2-yl)phenyl]amino]propanoic acid

Systemtic Name: 3-[[2-chloranyl-4-(1-methoxy-1-oxidanylidene-propan-2-yl)phenyl]amino]propanoic acid Openeye Name: 3-[2-chloro-4-(2-methoxy-1-methyl-2-oxo-ethyl)anilino]propanoic acid CAS Name: 3-[2-chloro-4-(1-methoxy-1-oxopropan-2-yl)anilino]propanoic acid IUPAC Name: 3-[2-chloro-4-(1-methoxy-1-oxopropan-2-yl)anilino]propanoic acid Traditional Name: 3-[2-chloro-4-(2-keto-2-methoxy-1-methyl-ethyl)anilino]propionic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-8(13(18)19-2)9-3-4-11(10(14)7-9)15-6-5-12(16)17/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)