3-nitro-4-(1-oxidanylhexyl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(1-oxidanylhexyl)benzenecarbonitrile Openeye Name: 4-(1-hydroxyhexyl)-3-nitro-benzonitrile CAS Name: 4-(1-hydroxyhexyl)-3-nitrobenzonitrile IUPAC Name: 4-(1-hydroxyhexyl)-3-nitrobenzonitrile Traditional Name: 4-(1-hydroxyhexyl)-3-nitro-benzonitrile Formula: C13H16N2O3 MolecularWeight: 248.27774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C=C(C=C1)C#N)[N+](=O)[O-])O

Isomeric SMILES

CCCCCC(C1=C(C=C(C=C1)C#N)[N+](=O)[O-])O

InChI

InChI=1S/C13H16N2O3/c1-2-3-4-5-13(16)11-7-6-10(9-14)8-12(11)15(17)18/h6-8,13,16H,2-5H2,1H3