(4-aminocarbonylphenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: (4-aminocarbonylphenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (4-carbamoylbenzyl) ester Formula: C20H16F3N3O4 MolecularWeight: 419.35395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=CC=C(C=C2)C(=O)N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=CC=C(C=C2)C(=O)N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O4/c1-29-16-10-26(15-4-2-3-14(9-15)20(21,22)23)25-17(16)19(28)30-11-12-5-7-13(8-6-12)18(24)27/h2-10H,11H2,1H3,(H2,24,27)