[2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H18FN3O3 MolecularWeight: 319.330823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FN3O3/c1-16(2,3)18-14(21)9-23-15(22)13-8-12(19-20-13)10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20)