(5-ethanoyl-2-ethoxy-phenyl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C17H16BrNO4/c1-3-22-16-5-4-12(11(2)20)6-14(16)10-23-17(21)13-7-15(18)9-19-8-13/h4-9H,3,10H2,1-2H3