(4-pyrazol-1-ylphenyl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-pyrazol-1-ylbenzyl) ester Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C16H12BrN3O2/c17-14-8-13(9-18-10-14)16(21)22-11-12-2-4-15(5-3-12)20-7-1-6-19-20/h1-10H,11H2