bis(phenylmethyl) 1-(2-bromoethyl)pyrazole-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 1-(2-bromoethyl)pyrazole-3,5-dicarboxylate Openeye Name: dibenzyl 1-(2-bromoethyl)pyrazole-3,5-dicarboxylate CAS Name: 1-(2-bromoethyl)pyrazole-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 1-(2-bromoethyl)pyrazole-3,5-dicarboxylate Traditional Name: 1-(2-bromoethyl)pyrazole-3,5-dicarboxylic acid dibenzyl ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=NN2CCBr)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=NN2CCBr)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O4/c22-11-12-24-19(21(26)28-15-17-9-5-2-6-10-17)13-18(23-24)20(25)27-14-16-7-3-1-4-8-16/h1-10,13H,11-12,14-15H2