5-(cyanomethyl)-2-(2-methylpropyl)-3,6-dinitro-benzenecarbonitrile

Systemtic Name: 5-(cyanomethyl)-2-(2-methylpropyl)-3,6-dinitro-benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-2-isobutyl-3,6-dinitro-benzonitrile CAS Name: 5-(cyanomethyl)-2-(2-methylpropyl)-3,6-dinitrobenzonitrile IUPAC Name: 5-(cyanomethyl)-2-(2-methylpropyl)-3,6-dinitrobenzonitrile Traditional Name: 5-(cyanomethyl)-2-isobutyl-3,6-dinitro-benzonitrile Formula: C13H12N4O4 MolecularWeight: 288.25878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(C(=C1C#N)[N+](=O)[O-])CC#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(C=C(C(=C1C#N)[N+](=O)[O-])CC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4/c1-8(2)5-10-11(7-15)13(17(20)21)9(3-4-14)6-12(10)16(18)19/h6,8H,3,5H2,1-2H3