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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C17H17ClN2O5 MolecularWeight: 364.78028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O5/c1-23-13-5-3-11(7-14(13)24-2)8-20-16(21)10-25-17(22)12-4-6-15(18)19-9-12/h3-7,9H,8,10H2,1-2H3,(H,20,21)