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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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