2-(2-cyanophenyl)-4-ethoxycarbonyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(2-cyanophenyl)-4-ethoxycarbonyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 2-(2-cyanophenyl)-4-ethoxycarbonyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 2-(2-cyanophenyl)-4-ethoxycarbonyl-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-(2-cyanophenyl)-4-ethoxycarbonyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 4-carbethoxy-2-(2-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C15H10F3N3O4 MolecularWeight: 353.25281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C15H10F3N3O4/c1-2-25-14(24)10-11(13(22)23)21(20-12(10)15(16,17)18)9-6-4-3-5-8(9)7-19/h3-6H,2H2,1H3,(H,22,23)