3,4,5,6,7-pentakis(oxidanyl)-2-[(phenylmethyl)amino]heptanenitrile

Systemtic Name: 3,4,5,6,7-pentakis(oxidanyl)-2-[(phenylmethyl)amino]heptanenitrile Openeye Name: 2-(benzylamino)-3,4,5,6,7-pentahydroxy-heptanenitrile CAS Name: 3,4,5,6,7-pentahydroxy-2-[(phenylmethyl)amino]heptanenitrile IUPAC Name: 2-(benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile Traditional Name: 2-(benzylamino)-3,4,5,6,7-pentahydroxy-enanthonitrile Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C#N)C(C(C(C(CO)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(C#N)C(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C14H20N2O5/c15-6-10(16-7-9-4-2-1-3-5-9)12(19)14(21)13(20)11(18)8-17/h1-5,10-14,16-21H,7-8H2