3,4,5,6-tetrakis(oxidanyl)-2-[(phenylmethyl)amino]hexanenitrile

Systemtic Name: 3,4,5,6-tetrakis(oxidanyl)-2-[(phenylmethyl)amino]hexanenitrile Openeye Name: 2-(benzylamino)-3,4,5,6-tetrahydroxy-hexanenitrile CAS Name: 3,4,5,6-tetrahydroxy-2-[(phenylmethyl)amino]hexanenitrile IUPAC Name: 2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile Traditional Name: 2-(benzylamino)-3,4,5,6-tetrahydroxy-hexanenitrile Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c14-6-10(12(18)13(19)11(17)8-16)15-7-9-4-2-1-3-5-9/h1-5,10-13,15-19H,7-8H2