5-ethyl-1-(2-fluoranyl-5-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(2-fluoranyl-5-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(2-fluoro-5-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 5-ethyl-1-(2-fluoro-5-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-(2-fluoro-5-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(2-fluoro-5-nitro-phenyl)triazole-4-carboxylic acid Formula: C11H9FN4O4 MolecularWeight: 280.211963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=C(C=CC(=C2)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=C(C=CC(=C2)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C11H9FN4O4/c1-2-8-10(11(17)18)13-14-15(8)9-5-6(16(19)20)3-4-7(9)12/h3-5H,2H2,1H3,(H,17,18)