2-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]methoxy]oxane

Systemtic Name: 2-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]methoxy]oxane Openeye Name: 2-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]methoxy]tetrahydropyran CAS Name: 2-[[4-nitro-2-(2-phenylethynyl)-1-cyclohexa-1,3-dienyl]methoxy]oxane IUPAC Name: 2-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]methoxy]oxane Traditional Name: 2-[[4-nitro-2-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]methoxy]tetrahydropyran Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=C(C=C(CC2)[N+](=O)[O-])C#CC3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)OCC2=C(C=C(CC2)[N+](=O)[O-])C#CC3=CC=CC=C3

InChI

InChI=1S/C20H21NO4/c22-21(23)19-12-11-18(15-25-20-8-4-5-13-24-20)17(14-19)10-9-16-6-2-1-3-7-16/h1-3,6-7,14,20H,4-5,8,11-13,15H2