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

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-fluoro-3-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 1-(4-fluoro-3-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-fluoro-3-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(4-fluoro-3-nitro-phenyl)triazole-4-carboxylic acid Formula: C9H5FN4O4 MolecularWeight: 252.158803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=C(N=N2)C(=O)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1N2C=C(N=N2)C(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C9H5FN4O4/c10-6-2-1-5(3-8(6)14(17)18)13-4-7(9(15)16)11-12-13/h1-4H,(H,15,16)