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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C16H16BrNO4 MolecularWeight: 366.20654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC(=CN=C2)Br)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC(=CN=C2)Br)OC)OC

InChI

InChI=1S/C16H16BrNO4/c1-10-4-14(20-2)15(21-3)6-12(10)9-22-16(19)11-5-13(17)8-18-7-11/h4-8H,9H2,1-3H3