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

Systemtic Name: 4-(cyanomethyl)-3-(2-methylpropyl)-2,5-dinitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-3-isobutyl-2,5-dinitro-benzonitrile CAS Name: 4-(cyanomethyl)-3-(2-methylpropyl)-2,5-dinitrobenzonitrile IUPAC Name: 4-(cyanomethyl)-3-(2-methylpropyl)-2,5-dinitrobenzonitrile Traditional Name: 4-(cyanomethyl)-3-isobutyl-2,5-dinitro-benzonitrile Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=CC(=C1CC#N)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(C(=CC(=C1CC#N)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

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