1-[2-(2-cyano-3-fluoranyl-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2-cyano-3-fluoranyl-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-cyano-3-fluoro-phenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2-cyano-3-fluorophenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-cyano-3-fluorophenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-cyano-3-fluoro-phenoxy)ethyl]triazole-4-carboxylic acid Formula: C12H9FN4O3 MolecularWeight: 276.223263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C#N)OCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)F)C#N)OCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H9FN4O3/c13-9-2-1-3-11(8(9)6-14)20-5-4-17-7-10(12(18)19)15-16-17/h1-3,7H,4-5H2,(H,18,19)