(phenylmethyl) 5-(2-cyanoethylamino)-5-oxidanylidene-2-(oxidanylideneboranylmethylideneamino)pentanoate

Systemtic Name: (phenylmethyl) 5-(2-cyanoethylamino)-5-oxidanylidene-2-(oxidanylideneboranylmethylideneamino)pentanoate Openeye Name: benzyl 5-(2-cyanoethylamino)-5-oxo-2-(oxoboranylmethyleneamino)pentanoate CAS Name: 5-(2-cyanoethylamino)-5-oxo-2-(oxoboranylmethylideneamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(2-cyanoethylamino)-5-oxo-2-(oxoboranylmethylideneamino)pentanoate Traditional Name: 5-(2-cyanoethylamino)-5-keto-2-(ketoboranylmethyleneamino)valeric acid benzyl ester Formula: C16H18BN3O4 MolecularWeight: 327.14282

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)C=NC(CCC(=O)NCCC#N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

B(=O)C=NC(CCC(=O)NCCC#N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H18BN3O4/c18-9-4-10-19-15(21)8-7-14(20-12-17-23)16(22)24-11-13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-8,10-11H2,(H,19,21)