1-[2-[2-cyanoethyl(phenyl)amino]ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-[2-cyanoethyl(phenyl)amino]ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-[N-(2-cyanoethyl)anilino]ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[N-(2-cyanoethyl)anilino]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-[N-(2-cyanoethyl)anilino]ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[N-(2-cyanoethyl)anilino]ethyl]triazole-4-carboxylic acid Formula: C14H15N5O2 MolecularWeight: 285.3012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C14H15N5O2/c15-7-4-8-18(12-5-2-1-3-6-12)9-10-19-11-13(14(20)21)16-17-19/h1-3,5-6,11H,4,8-10H2,(H,20,21)