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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic 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(=C(N=C1)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

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