2-(4-chloranyl-3-fluoranyl-2-nitro-phenyl)propanedioic acid

Systemtic Name: 2-(4-chloranyl-3-fluoranyl-2-nitro-phenyl)propanedioic acid Openeye Name: 2-(4-chloro-3-fluoro-2-nitro-phenyl)propanedioic acid CAS Name: 2-(4-chloro-3-fluoro-2-nitrophenyl)propanedioic acid IUPAC Name: 2-(4-chloro-3-fluoro-2-nitrophenyl)propanedioic acid Traditional Name: 2-(4-chloro-3-fluoro-2-nitro-phenyl)malonic acid Formula: C9H5ClFNO6 MolecularWeight: 277.590503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(C(=O)O)C(=O)O)[N+](=O)[O-])F)Cl

Isomeric SMILES

C1=CC(=C(C(=C1C(C(=O)O)C(=O)O)[N+](=O)[O-])F)Cl

InChI

InChI=1S/C9H5ClFNO6/c10-4-2-1-3(5(8(13)14)9(15)16)7(6(4)11)12(17)18/h1-2,5H,(H,13,14)(H,15,16)