[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O3/c1-3-14-6-5-7-15(4-2)21(14)24-20(27)13-29-22(28)19-12-18(25-26-19)16-8-10-17(23)11-9-16/h5-12H,3-4,13H2,1-2H3,(H,24,27)(H,25,26)