(3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O3/c1-16(2,3)14(20)9-22-15(21)13-8-12(18-19-13)10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)