2-azanyl-3-[2-(2-carboxyethyl)-4,5-bis(chloranyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-carboxyethyl)-4,5-bis(chloranyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-carboxyethyl)-4,5-dichloro-phenyl]propanoic acid CAS Name: 2-amino-3-[2-(2-carboxyethyl)-4,5-dichlorophenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2-carboxyethyl)-4,5-dichlorophenyl]propanoic acid Traditional Name: 2-amino-3-[2-(2-carboxyethyl)-4,5-dichloro-phenyl]propionic acid Formula: C12H13Cl2NO4 MolecularWeight: 306.14192

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)Cl)CC(C(=O)O)N)CCC(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1Cl)Cl)CC(C(=O)O)N)CCC(=O)O

InChI

InChI=1S/C12H13Cl2NO4/c13-8-3-6(1-2-11(16)17)7(4-9(8)14)5-10(15)12(18)19/h3-4,10H,1-2,5,15H2,(H,16,17)(H,18,19)