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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-fluorophenyl)-1H-pyrazole-4-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=C(NN=C1)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

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