2-[2-(azidomethyl)-4-methoxy-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-[2-(azidomethyl)-4-methoxy-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 2-[2-(azidomethyl)-4-methoxy-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 2-[2-(azidomethyl)-4-methoxyphenyl]-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-[2-(azidomethyl)-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 2-[2-(azidomethyl)-4-methoxy-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C13H10F3N5O3 MolecularWeight: 341.24541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)O)CN=[N+]=[N-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C13H10F3N5O3/c1-24-8-2-3-9(7(4-8)6-18-20-17)21-10(12(22)23)5-11(19-21)13(14,15)16/h2-5H,6H2,1H3,(H,22,23)