[2-(2-bromophenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2-bromophenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-bromophenyl)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-bromophenyl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2-bromophenyl)-2-keto-ethyl] ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H17BrN2O3/c1-13-19(14(2)23(22-13)15-8-4-3-5-9-15)20(25)26-12-18(24)16-10-6-7-11-17(16)21/h3-11H,12H2,1-2H3