ethyl 5-(4-bromophenyl)-5-oxidanyl-1-(2-phenoxyethanoyl)-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-5-oxidanyl-1-(2-phenoxyethanoyl)-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-4H-pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-5-hydroxy-1-(1-oxo-2-phenoxyethyl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O5/c1-2-27-19(25)17-12-20(26,14-8-10-15(21)11-9-14)23(22-17)18(24)13-28-16-6-4-3-5-7-16/h3-11,26H,2,12-13H2,1H3