dimethyl 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylate Openeye Name: dimethyl 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylate CAS Name: 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(4-bromophenyl)methyl]pyrazole-3,5-dicarboxylate Traditional Name: 1-(4-bromobenzyl)pyrazole-3,5-dicarboxylic acid dimethyl ester Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1CC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=NN1CC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C14H13BrN2O4/c1-20-13(18)11-7-12(14(19)21-2)17(16-11)8-9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3