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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1CC#N)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(C(=C1CC#N)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4/c1-2-3-4-10-11(5-6-14)13(17(20)21)9(8-15)7-12(10)16(18)19/h7H,2-5H2,1H3