(2-bromanyl-4,5-dimethoxy-phenyl)methyl pyridine-3-carboxylate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl pyridine-3-carboxylate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CN=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CN=CC=C2)Br)OC

InChI

InChI=1S/C15H14BrNO4/c1-19-13-6-11(12(16)7-14(13)20-2)9-21-15(18)10-4-3-5-17-8-10/h3-8H,9H2,1-2H3