3-[2-cyanoethyl(phenyl)amino]propanoate

Systemtic Name: 3-[2-cyanoethyl(phenyl)amino]propanoate Openeye Name: 3-[N-(2-cyanoethyl)anilino]propanoate CAS Name: 3-[N-(2-cyanoethyl)anilino]propanoate IUPAC Name: 3-[N-(2-cyanoethyl)anilino]propanoate Traditional Name: 3-[N-(2-cyanoethyl)anilino]propionate Formula: C12H13N2O2- MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CCC(=O)[O-]

InChI

InChI=1S/C12H14N2O2/c13-8-4-9-14(10-7-12(15)16)11-5-2-1-3-6-11/h1-3,5-6H,4,7,9-10H2,(H,15,16)/p-1