2-[[[4-chloranyl-3-fluoranyl-2-(2-hydroxyethyl)phenyl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[4-chloranyl-3-fluoranyl-2-(2-hydroxyethyl)phenyl]amino]methylidene]propanedioic acid Openeye Name: 2-[[4-chloro-3-fluoro-2-(2-hydroxyethyl)anilino]methylene]propanedioic acid CAS Name: 2-[[4-chloro-3-fluoro-2-(2-hydroxyethyl)anilino]methylidene]propanedioic acid IUPAC Name: 2-[[4-chloro-3-fluoro-2-(2-hydroxyethyl)anilino]methylidene]propanedioic acid Traditional Name: 2-[[4-chloro-3-fluoro-2-(2-hydroxyethyl)anilino]methylene]malonic acid Formula: C12H11ClFNO5 MolecularWeight: 303.670843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1NC=C(C(=O)O)C(=O)O)CCO)F)Cl

Isomeric SMILES

C1=CC(=C(C(=C1NC=C(C(=O)O)C(=O)O)CCO)F)Cl

InChI

InChI=1S/C12H11ClFNO5/c13-8-1-2-9(6(3-4-16)10(8)14)15-5-7(11(17)18)12(19)20/h1-2,5,15-16H,3-4H2,(H,17,18)(H,19,20)