3-[(3-cyanopyridin-2-yl)amino]benzoic acid

Systemtic Name: 3-[(3-cyanopyridin-2-yl)amino]benzoic acid Openeye Name: 3-[(3-cyano-2-pyridyl)amino]benzoic acid CAS Name: 3-[(3-cyano-2-pyridinyl)amino]benzoic acid IUPAC Name: 3-[(3-cyanopyridin-2-yl)amino]benzoic acid Traditional Name: 3-[(3-cyano-2-pyridyl)amino]benzoic acid Formula: C13H9N3O2 MolecularWeight: 239.22946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C#N)C(=O)O

InChI

InChI=1S/C13H9N3O2/c14-8-10-4-2-6-15-12(10)16-11-5-1-3-9(7-11)13(17)18/h1-7H,(H,15,16)(H,17,18)