(5-phenyl-1,2-oxazol-3-yl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C16H11BrN2O3/c17-13-6-12(8-18-9-13)16(20)21-10-14-7-15(22-19-14)11-4-2-1-3-5-11/h1-9H,10H2