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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3/c17-8-11-19(14-4-2-1-3-5-14)15(20)12-22-16(21)13-6-9-18-10-7-13/h1-7,9-10H,11-12H2