4-(cyanomethyl)-2-(2-methylbutan-2-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-(2-methylbutan-2-yl)-5-nitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-(1,1-dimethylpropyl)-5-nitro-benzonitrile CAS Name: 4-(cyanomethyl)-2-(2-methylbutan-2-yl)-5-nitrobenzonitrile IUPAC Name: 4-(cyanomethyl)-2-(2-methylbutan-2-yl)-5-nitrobenzonitrile Traditional Name: 2-tert-amyl-4-(cyanomethyl)-5-nitro-benzonitrile Formula: C14H15N3O2 MolecularWeight: 257.2878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1C#N)[N+](=O)[O-])CC#N

InChI

InChI=1S/C14H15N3O2/c1-4-14(2,3)12-7-10(5-6-15)13(17(18)19)8-11(12)9-16/h7-8H,4-5H2,1-3H3