N,1,3-tris(2,4,6-trinitrophenyl)imidazol-2-imine

Systemtic Name: N,1,3-tris(2,4,6-trinitrophenyl)imidazol-2-imine Openeye Name: N,1,3-tris(2,4,6-trinitrophenyl)imidazol-2-imine CAS Name: N,1,3-tris(2,4,6-trinitrophenyl)-2-imidazolimine IUPAC Name: N,1,3-tris(2,4,6-trinitrophenyl)imidazol-2-imine Traditional Name: (1,3-dipicryl-4-imidazolin-2-ylidene)-picryl-amine Formula: C21H8N12O18 MolecularWeight: 716.35782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N1C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N1C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H8N12O18/c34-25(35)9-3-12(28(40)41)18(13(4-9)29(42)43)22-21-23(19-14(30(44)45)5-10(26(36)37)6-15(19)31(46)47)1-2-24(21)20-16(32(48)49)7-11(27(38)39)8-17(20)33(50)51/h1-8H