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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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