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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O5/c1-23-14-4-3-11(5-15(14)24-2)7-20-16(21)10-25-17(22)12-6-13(18)9-19-8-12/h3-6,8-9H,7,10H2,1-2H3,(H,20,21)