4-[4-azanyl-5-nitro-2-(2-phenylethynyl)phenyl]-2-nitro-5-(2-phenylethynyl)aniline

Systemtic Name: 4-[4-azanyl-5-nitro-2-(2-phenylethynyl)phenyl]-2-nitro-5-(2-phenylethynyl)aniline Openeye Name: 4-[4-amino-5-nitro-2-(2-phenylethynyl)phenyl]-2-nitro-5-(2-phenylethynyl)aniline CAS Name: 4-[4-amino-5-nitro-2-(2-phenylethynyl)phenyl]-2-nitro-5-(2-phenylethynyl)aniline IUPAC Name: 4-[4-amino-5-nitro-2-(2-phenylethynyl)phenyl]-2-nitro-5-(2-phenylethynyl)aniline Traditional Name: [4-[4-amino-5-nitro-2-(2-phenylethynyl)phenyl]-2-nitro-5-(2-phenylethynyl)phenyl]amine Formula: C28H18N4O4 MolecularWeight: 474.46692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=C(C=C2C3=CC(=C(C=C3C#CC4=CC=CC=C4)N)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=C(C=C2C3=CC(=C(C=C3C#CC4=CC=CC=C4)N)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C28H18N4O4/c29-25-15-21(13-11-19-7-3-1-4-8-19)23(17-27(25)31(33)34)24-18-28(32(35)36)26(30)16-22(24)14-12-20-9-5-2-6-10-20/h1-10,15-18H,29-30H2