4-[4-ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[4-ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[4-ethoxycarbonyl-5-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[4-carbethoxy-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid Formula: C14H11F3N2O4 MolecularWeight: 328.24335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O4/c1-2-23-13(22)10-7-18-19(11(10)14(15,16)17)9-5-3-8(4-6-9)12(20)21/h3-7H,2H2,1H3,(H,20,21)