2-(hexylamino)-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 2-(hexylamino)-3,5-dinitro-benzenecarbonitrile Openeye Name: 2-(hexylamino)-3,5-dinitro-benzonitrile CAS Name: 2-(hexylamino)-3,5-dinitrobenzonitrile IUPAC Name: 2-(hexylamino)-3,5-dinitrobenzonitrile Traditional Name: 2-(hexylamino)-3,5-dinitro-benzonitrile Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC1=C(C=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4/c1-2-3-4-5-6-15-13-10(9-14)7-11(16(18)19)8-12(13)17(20)21/h7-8,15H,2-6H2,1H3