4-(cyanomethyl)-2-ethyl-6-nitro-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-ethyl-6-nitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-ethyl-6-nitro-benzonitrile CAS Name: 4-(cyanomethyl)-2-ethyl-6-nitrobenzonitrile IUPAC Name: 4-(cyanomethyl)-2-ethyl-6-nitrobenzonitrile Traditional Name: 4-(cyanomethyl)-2-ethyl-6-nitro-benzonitrile Formula: C11H9N3O2 MolecularWeight: 215.20806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)CC#N)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=C(C(=CC(=C1)CC#N)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H9N3O2/c1-2-9-5-8(3-4-12)6-11(14(15)16)10(9)7-13/h5-6H,2-3H2,1H3