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

Systemtic Name: 6-[2-cyanoethyl(phenyl)amino]pyridine-3-carboxylic acid Openeye Name: 6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid CAS Name: 6-[N-(2-cyanoethyl)anilino]-3-pyridinecarboxylic acid IUPAC Name: 6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid Traditional Name: 6-[N-(2-cyanoethyl)anilino]nicotinic acid Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2/c16-9-4-10-18(13-5-2-1-3-6-13)14-8-7-12(11-17-14)15(19)20/h1-3,5-8,11H,4,10H2,(H,19,20)