3,5-dinitro-4-(2,4,6-trinitrophenyl)carbonyl-benzenecarbonitrile

Systemtic Name: 3,5-dinitro-4-(2,4,6-trinitrophenyl)carbonyl-benzenecarbonitrile Openeye Name: 3,5-dinitro-4-(2,4,6-trinitrobenzoyl)benzonitrile CAS Name: 3,5-dinitro-4-[oxo-(2,4,6-trinitrophenyl)methyl]benzonitrile IUPAC Name: 3,5-dinitro-4-(2,4,6-trinitrobenzoyl)benzonitrile Traditional Name: 3,5-dinitro-4-(2,4,6-trinitrobenzoyl)benzonitrile Formula: C14H4N6O11 MolecularWeight: 432.21516

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C14H4N6O11/c15-5-6-1-8(17(24)25)12(9(2-6)18(26)27)14(21)13-10(19(28)29)3-7(16(22)23)4-11(13)20(30)31/h1-4H