(3-bromophenyl)methyl 1-ethylpyrazole-4-carboxylate

Systemtic Name: (3-bromophenyl)methyl 1-ethylpyrazole-4-carboxylate Openeye Name: (3-bromophenyl)methyl 1-ethylpyrazole-4-carboxylate CAS Name: 1-ethyl-4-pyrazolecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 1-ethylpyrazole-4-carboxylate Traditional Name: 1-ethylpyrazole-4-carboxylic acid (3-bromobenzyl) ester Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)OCC2=CC(=CC=C2)Br

Isomeric SMILES

CCN1C=C(C=N1)C(=O)OCC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H13BrN2O2/c1-2-16-8-11(7-15-16)13(17)18-9-10-4-3-5-12(14)6-10/h3-8H,2,9H2,1H3