3,5-bis(azanyl)-2,4,6-trinitro-benzenecarbonitrile

Systemtic Name: 3,5-bis(azanyl)-2,4,6-trinitro-benzenecarbonitrile Openeye Name: 3,5-diamino-2,4,6-trinitro-benzonitrile CAS Name: 3,5-diamino-2,4,6-trinitrobenzonitrile IUPAC Name: 3,5-diamino-2,4,6-trinitrobenzonitrile Traditional Name: 3,5-diamino-2,4,6-trinitro-benzonitrile Formula: C7H4N6O6 MolecularWeight: 268.14326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4N6O6/c8-1-2-5(11(14)15)3(9)7(13(18)19)4(10)6(2)12(16)17/h9-10H2