4-[[(3-cyanopyridin-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(3-cyanopyridin-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(3-cyano-2-pyridyl)amino]methyl]benzoic acid CAS Name: 4-[[(3-cyano-2-pyridinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(3-cyanopyridin-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-cyano-2-pyridyl)amino]methyl]benzoic acid Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=C(N=C1)NCC2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C14H11N3O2/c15-8-12-2-1-7-16-13(12)17-9-10-3-5-11(6-4-10)14(18)19/h1-7H,9H2,(H,16,17)(H,18,19)