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

Systemtic Name: 2-(butylamino)-3,5-dinitro-benzenecarbonitrile Openeye Name: 2-(butylamino)-3,5-dinitro-benzonitrile CAS Name: 2-(butylamino)-3,5-dinitrobenzonitrile IUPAC Name: 2-(butylamino)-3,5-dinitrobenzonitrile Traditional Name: 2-(butylamino)-3,5-dinitro-benzonitrile Formula: C11H12N4O4 MolecularWeight: 264.23738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4/c1-2-3-4-13-11-8(7-12)5-9(14(16)17)6-10(11)15(18)19/h5-6,13H,2-4H2,1H3