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

Systemtic Name: 5-cyclopropyl-1-(2-fluoranyl-5-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(2-fluoro-5-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(2-fluoro-5-nitro-phenyl)triazole-4-carboxylic acid Formula: C12H9FN4O4 MolecularWeight: 292.222663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N=NN2C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

C1CC1C2=C(N=NN2C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C12H9FN4O4/c13-8-4-3-7(17(20)21)5-9(8)16-11(6-1-2-6)10(12(18)19)14-15-16/h3-6H,1-2H2,(H,18,19)