(4-butoxycarbonylphenyl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (4-butoxycarbonylphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-butoxycarbonylphenyl) ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

InChI

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