methyl 4-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-keto-acetyl]amino]benzoic acid methyl ester Formula: C22H18F3N3O4 MolecularWeight: 445.39123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H18F3N3O4/c1-12-18(13(2)28(27-12)17-6-4-5-15(11-17)22(23,24)25)19(29)20(30)26-16-9-7-14(8-10-16)21(31)32-3/h4-11H,1-3H3,(H,26,30)