[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3/c18-9-5-11-20(15-7-2-1-3-8-15)16(21)13-23-17(22)14-6-4-10-19-12-14/h1-4,6-8,10,12H,5,11,13H2