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

Systemtic Name: 1-[2-[2-cyanoethyl(phenyl)amino]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[N-(2-cyanoethyl)anilino]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[N-(2-cyanoethyl)anilino]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[N-(2-cyanoethyl)anilino]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[N-(2-cyanoethyl)anilino]ethyl]triazole-4-carboxylate Formula: C14H14N5O2- MolecularWeight: 284.29326

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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)/p-1