[(1S)-1-cyanoethyl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: [(1S)-1-cyanoethyl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: [(1S)-1-cyanoethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2R)-3-phenyl-2-(1-tetrazolyl)propanoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2R)-3-phenyl-2-(tetrazol-1-yl)propionic acid [(1S)-1-cyanoethyl] ester Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C(CC1=CC=CC=C1)N2C=NN=N2

Isomeric SMILES

C[C@@H](C#N)OC(=O)[C@@H](CC1=CC=CC=C1)N2C=NN=N2

InChI

InChI=1S/C13H13N5O2/c1-10(8-14)20-13(19)12(18-9-15-16-17-18)7-11-5-3-2-4-6-11/h2-6,9-10,12H,7H2,1H3/t10-,12+/m0/s1