(3,5-dinitrophenyl)-[4-(2-phenylethynyl)phenyl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-(2-phenylethynyl)phenyl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-(2-phenylethynyl)phenyl]methanone CAS Name: (3,5-dinitrophenyl)-[4-(2-phenylethynyl)phenyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-(2-phenylethynyl)phenyl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-(2-phenylethynyl)phenyl]methanone Formula: C21H12N2O5 MolecularWeight: 372.33038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H12N2O5/c24-21(18-12-19(22(25)26)14-20(13-18)23(27)28)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-14H