[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C18H19ClN2O6 MolecularWeight: 394.80626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O6/c1-24-13-6-11(7-14(25-2)17(13)26-3)8-21-16(22)10-27-18(23)12-4-5-15(19)20-9-12/h4-7,9H,8,10H2,1-3H3,(H,21,22)