5-chloranyl-6-[2-cyanoethyl(phenyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-[2-cyanoethyl(phenyl)amino]pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid CAS Name: 5-chloro-6-[N-(2-cyanoethyl)anilino]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-[N-(2-cyanoethyl)anilino]nicotinic acid Formula: C15H12ClN3O2 MolecularWeight: 301.72768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C2=C(C=C(C=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C2=C(C=C(C=N2)C(=O)O)Cl

InChI

InChI=1S/C15H12ClN3O2/c16-13-9-11(15(20)21)10-18-14(13)19(8-4-7-17)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,8H2,(H,20,21)