5-azanyl-1-[(4-fluorophenyl)methyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-azanyl-1-[(4-fluorophenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-amino-1-[(4-fluorophenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-amino-1-[(4-fluorophenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-amino-1-[(4-fluorophenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-amino-1-(4-fluorobenzyl)triazole-4-carboxylic acid Formula: C10H9FN4O2 MolecularWeight: 236.202463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=C(N=N2)C(=O)O)N)F

Isomeric SMILES

C1=CC(=CC=C1CN2C(=C(N=N2)C(=O)O)N)F

InChI

InChI=1S/C10H9FN4O2/c11-7-3-1-6(2-4-7)5-15-9(12)8(10(16)17)13-14-15/h1-4H,5,12H2,(H,16,17)