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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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