1-nitro-2-(4-phenylbuta-1,3-diynyl)benzene

Systemtic Name: 1-nitro-2-(4-phenylbuta-1,3-diynyl)benzene Openeye Name: 1-nitro-2-(4-phenylbuta-1,3-diynyl)benzene CAS Name: 1-nitro-2-(4-phenylbuta-1,3-diynyl)benzene IUPAC Name: 1-nitro-2-(4-phenylbuta-1,3-diynyl)benzene Traditional Name: 1-nitro-2-(4-phenylbuta-1,3-diynyl)benzene Formula: C16H9NO2 MolecularWeight: 247.24816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9NO2/c18-17(19)16-13-7-6-12-15(16)11-5-4-10-14-8-2-1-3-9-14/h1-3,6-9,12-13H