[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3,4-bis(fluoranyl)benzoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3,4-bis(fluoranyl)benzoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3,4-difluorobenzoate CAS Name: 3,4-difluorobenzoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-difluorobenzoate Traditional Name: 3,4-difluorobenzoic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H21F2N3O3/c1-22(2,3)18-12-19(27(26-18)15-7-5-4-6-8-15)25-20(28)13-30-21(29)14-9-10-16(23)17(24)11-14/h4-12H,13H2,1-3H3,(H,25,28)