[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C16H12ClN3O3 MolecularWeight: 329.73778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H12ClN3O3/c17-14-6-3-12(9-19-14)16(22)23-10-15(21)20-13-4-1-11(2-5-13)7-8-18/h1-6,9H,7,10H2,(H,20,21)