1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid Formula: C10H5F3N4O4 MolecularWeight: 302.16631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C=C(N=N2)C(=O)O

InChI

InChI=1S/C10H5F3N4O4/c11-10(12,13)5-1-2-7(8(3-5)17(20)21)16-4-6(9(18)19)14-15-16/h1-4H,(H,18,19)