4-[[3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]benzenecarbonitrile

Systemtic Name: 4-[[3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]benzenecarbonitrile Openeye Name: 4-[(3,4,5,6-tetrahydroxy-2-oxo-hexyl)amino]benzonitrile CAS Name: 4-[(3,4,5,6-tetrahydroxy-2-oxohexyl)amino]benzonitrile IUPAC Name: 4-[(3,4,5,6-tetrahydroxy-2-oxohexyl)amino]benzonitrile Traditional Name: 4-[(3,4,5,6-tetrahydroxy-2-keto-hexyl)amino]benzonitrile Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NCC(=O)C(C(C(CO)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NCC(=O)C(C(C(CO)O)O)O

InChI

InChI=1S/C13H16N2O5/c14-5-8-1-3-9(4-2-8)15-6-10(17)12(19)13(20)11(18)7-16/h1-4,11-13,15-16,18-20H,6-7H2