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

Systemtic Name: 2-[2-cyanoethyl(phenyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid CAS Name: 2-[N-(2-cyanoethyl)anilino]-3-pyridinecarboxylic acid IUPAC Name: 2-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid Traditional Name: 2-[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=C(C=CC=N2)C(=O)O

Isomeric SMILES

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

InChI

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