(2-methoxy-4-methoxycarbonyl-phenyl) 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: (2-methoxy-4-methoxycarbonyl-phenyl) 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: (2-methoxy-4-methoxycarbonyl-phenyl) 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid (2-methoxy-4-methoxycarbonylphenyl) ester IUPAC Name: (2-methoxy-4-methoxycarbonylphenyl) 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (4-carbomethoxy-2-methoxy-phenyl) ester Formula: C21H17F3N2O6 MolecularWeight: 450.36469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OC(=O)C2=NN(C=C2OC)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC(=O)C2=NN(C=C2OC)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O6/c1-29-16-9-12(19(27)31-3)7-8-15(16)32-20(28)18-17(30-2)11-26(25-18)14-6-4-5-13(10-14)21(22,23)24/h4-11H,1-3H3