2-butyl-3-(cyanomethyl)-6-nitro-benzenecarbonitrile

Systemtic Name: 2-butyl-3-(cyanomethyl)-6-nitro-benzenecarbonitrile Openeye Name: 2-butyl-3-(cyanomethyl)-6-nitro-benzonitrile CAS Name: 2-butyl-3-(cyanomethyl)-6-nitrobenzonitrile IUPAC Name: 2-butyl-3-(cyanomethyl)-6-nitrobenzonitrile Traditional Name: 2-butyl-3-(cyanomethyl)-6-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CCCCC1=C(C=CC(=C1C#N)[N+](=O)[O-])CC#N

InChI

InChI=1S/C13H13N3O2/c1-2-3-4-11-10(7-8-14)5-6-13(16(17)18)12(11)9-15/h5-6H,2-4,7H2,1H3