(2R)-2-[bis(cyanomethyl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[bis(cyanomethyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[bis(cyanomethyl)ammonio]-2-phenyl-acetate CAS Name: (2R)-2-[bis(cyanomethyl)ammonio]-2-phenylacetate IUPAC Name: (2R)-2-[bis(cyanomethyl)azaniumyl]-2-phenylacetate Traditional Name: (2R)-2-[bis(cyanomethyl)ammonio]-2-phenyl-acetate Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)[O-])[NH+](CC#N)CC#N

InChI

InChI=1S/C12H11N3O2/c13-6-8-15(9-7-14)11(12(16)17)10-4-2-1-3-5-10/h1-5,11H,8-9H2,(H,16,17)/t11-/m1/s1