(6-chloranylpyridin-3-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C16H11BrClN3O2 MolecularWeight: 392.63444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC3=CN=C(C=C3)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC3=CN=C(C=C3)Cl)Br

InChI

InChI=1S/C16H11BrClN3O2/c17-12-4-2-11(3-5-12)13-7-14(21-20-13)16(22)23-9-10-1-6-15(18)19-8-10/h1-8H,9H2,(H,20,21)