1,2-dinitro-3-(2-phenylethynyl)benzene

Systemtic Name: 1,2-dinitro-3-(2-phenylethynyl)benzene Openeye Name: 1,2-dinitro-3-(2-phenylethynyl)benzene CAS Name: 1,2-dinitro-3-(2-phenylethynyl)benzene IUPAC Name: 1,2-dinitro-3-(2-phenylethynyl)benzene Traditional Name: 1,2-dinitro-3-(2-phenylethynyl)benzene Formula: C14H8N2O4 MolecularWeight: 268.22432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N2O4/c17-15(18)13-8-4-7-12(14(13)16(19)20)10-9-11-5-2-1-3-6-11/h1-8H