2-(3-oxidanyl-1,2-diazirin-3-yl)-2-propyl-propanedinitrile

Systemtic Name: 2-(3-oxidanyl-1,2-diazirin-3-yl)-2-propyl-propanedinitrile Openeye Name: 2-(3-hydroxydiazirin-3-yl)-2-propyl-propanedinitrile CAS Name: 2-(3-hydroxy-3-diazirinyl)-2-propylpropanedinitrile IUPAC Name: 2-(3-hydroxydiazirin-3-yl)-2-propylpropanedinitrile Traditional Name: 2-(3-hydroxydiazirin-3-yl)-2-propyl-malononitrile Formula: C7H8N4O MolecularWeight: 164.16462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C#N)C1(N=N1)O

Isomeric SMILES

CCCC(C#N)(C#N)C1(N=N1)O

InChI

InChI=1S/C7H8N4O/c1-2-3-6(4-8,5-9)7(12)10-11-7/h12H,2-3H2,1H3