3-[3-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[3-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(3-chloro-4-fluoro-phenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-(3-chloro-4-fluorophenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(3-chloro-4-fluoro-phenyl)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C12H9ClFN3O3 MolecularWeight: 297.669563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NC(=O)C(=NN2)CCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1C2=NC(=O)C(=NN2)CCC(=O)O)Cl)F

InChI

InChI=1S/C12H9ClFN3O3/c13-7-5-6(1-2-8(7)14)11-15-12(20)9(16-17-11)3-4-10(18)19/h1-2,5H,3-4H2,(H,18,19)(H,15,17,20)