[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C16H14BrNO5 MolecularWeight: 380.19006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO5/c1-21-14-4-3-10(6-15(14)22-2)13(19)9-23-16(20)11-5-12(17)8-18-7-11/h3-8H,9H2,1-2H3