4-tert-butyl-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-tert-butyl-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-tert-butyl-3,5-dinitro-benzonitrile CAS Name: 4-tert-butyl-3,5-dinitrobenzonitrile IUPAC Name: 4-tert-butyl-3,5-dinitrobenzonitrile Traditional Name: 4-tert-butyl-3,5-dinitro-benzonitrile Formula: C11H11N3O4 MolecularWeight: 249.22274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4/c1-11(2,3)10-8(13(15)16)4-7(6-12)5-9(10)14(17)18/h4-5H,1-3H3