5-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]hexanenitrile

Systemtic Name: 5-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]hexanenitrile Openeye Name: 5-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]hexanenitrile CAS Name: 5-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexanenitrile IUPAC Name: 5-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexanenitrile Traditional Name: 5-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]hexanenitrile Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC#N)NCC(C1=CC(=C(C=C1)O)O)O

Isomeric SMILES

CC(CCCC#N)NCC(C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C14H20N2O3/c1-10(4-2-3-7-15)16-9-14(19)11-5-6-12(17)13(18)8-11/h5-6,8,10,14,16-19H,2-4,9H2,1H3