4-[12-[(4,5-dicyano-2-nitro-phenyl)amino]dodecylamino]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[12-[(4,5-dicyano-2-nitro-phenyl)amino]dodecylamino]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[12-(4,5-dicyano-2-nitro-anilino)dodecylamino]-5-nitro-phthalonitrile CAS Name: 4-[12-(4,5-dicyano-2-nitroanilino)dodecylamino]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[12-(4,5-dicyano-2-nitroanilino)dodecylamino]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[12-(4,5-dicyano-2-nitro-anilino)dodecylamino]-5-nitro-phthalonitrile Formula: C28H30N8O4 MolecularWeight: 542.589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1NCCCCCCCCCCCCNC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])[N+](=O)[O-])C#N)C#N

Isomeric SMILES

C1=C(C(=CC(=C1NCCCCCCCCCCCCNC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])[N+](=O)[O-])C#N)C#N

InChI

InChI=1S/C28H30N8O4/c29-17-21-13-25(27(35(37)38)15-23(21)19-31)33-11-9-7-5-3-1-2-4-6-8-10-12-34-26-14-22(18-30)24(20-32)16-28(26)36(39)40/h13-16,33-34H,1-12H2