2-[2-(azidomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-[2-(azidomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 2-[2-(azidomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 2-[2-(azidomethyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-[2-(azidomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 2-[2-(azidomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C12H8F3N5O2 MolecularWeight: 311.21943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F3N5O2/c13-12(14,15)10-5-9(11(21)22)20(18-10)8-4-2-1-3-7(8)6-17-19-16/h1-5H,6H2,(H,21,22)