[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20BrN3O3 MolecularWeight: 394.263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O3/c1-10(15(22)19-17(2,3)4)24-16(23)14-9-13(20-21-14)11-5-7-12(18)8-6-11/h5-10H,1-4H3,(H,19,22)(H,20,21)