3-[[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]amino]propionic acid Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CNCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CNCCC(=O)O)C

InChI

InChI=1S/C13H17ClN2O3/c1-8-5-9(2)13(10(14)6-8)16-11(17)7-15-4-3-12(18)19/h5-6,15H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)