1-(2-cyano-3-fluoranyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(2-cyano-3-fluoranyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-cyano-3-fluoro-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-cyano-3-fluorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-cyano-3-fluorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-cyano-3-fluoro-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Formula: C13H9FN4O2 MolecularWeight: 272.234563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=C(C(=CC=C3)F)C#N)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=C(C(=CC=C3)F)C#N)C(=O)O

InChI

InChI=1S/C13H9FN4O2/c14-9-2-1-3-10(8(9)6-15)18-12(7-4-5-7)16-11(17-18)13(19)20/h1-3,7H,4-5H2,(H,19,20)