4-(cyanomethyl)-2-ethyl-3,6-dinitro-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-ethyl-3,6-dinitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-ethyl-3,6-dinitro-benzonitrile CAS Name: 4-(cyanomethyl)-2-ethyl-3,6-dinitrobenzonitrile IUPAC Name: 4-(cyanomethyl)-2-ethyl-3,6-dinitrobenzonitrile Traditional Name: 4-(cyanomethyl)-2-ethyl-3,6-dinitro-benzonitrile Formula: C11H8N4O4 MolecularWeight: 260.20562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1C#N)[N+](=O)[O-])CC#N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC(=C1C#N)[N+](=O)[O-])CC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O4/c1-2-8-9(6-13)10(14(16)17)5-7(3-4-12)11(8)15(18)19/h5H,2-3H2,1H3