(phenylmethyl) 4-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-2-(oxidanylideneboranylmethylideneamino)butanoate

Systemtic Name: (phenylmethyl) 4-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-2-(oxidanylideneboranylmethylideneamino)butanoate Openeye Name: benzyl 4-[1-(2-cyanoethyl)tetrazol-5-yl]-2-(oxoboranylmethyleneamino)butanoate CAS Name: 4-[1-(2-cyanoethyl)-5-tetrazolyl]-2-(oxoboranylmethylideneamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(2-cyanoethyl)tetrazol-5-yl]-2-(oxoboranylmethylideneamino)butanoate Traditional Name: 4-[1-(2-cyanoethyl)tetrazol-5-yl]-2-(ketoboranylmethyleneamino)butyric acid benzyl ester Formula: C16H17BN6O3 MolecularWeight: 352.15558

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)C=NC(CCC1=NN=NN1CCC#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

B(=O)C=NC(CCC1=NN=NN1CCC#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17BN6O3/c18-9-4-10-23-15(20-21-22-23)8-7-14(19-12-17-25)16(24)26-11-13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-8,10-11H2