1-[2-(5-fluoranyl-2-nitro-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(5-fluoranyl-2-nitro-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(5-fluoro-2-nitro-phenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(5-fluoro-2-nitrophenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(5-fluoro-2-nitro-phenoxy)ethyl]triazole-4-carboxylic acid Formula: C11H9FN4O5 MolecularWeight: 296.211363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)OCCN2C=C(N=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)OCCN2C=C(N=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9FN4O5/c12-7-1-2-9(16(19)20)10(5-7)21-4-3-15-6-8(11(17)18)13-14-15/h1-2,5-6H,3-4H2,(H,17,18)