bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-2-phenyl-isoindole-1,3-dione

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-2-phenyl-isoindole-1,3-dione Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-2-phenyl-isoindoline-1,3-dione CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-2-phenylisoindole-1,3-dione IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-2-phenylisoindole-1,3-dione Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-2-phenyl-isoindoline-1,3-quinone Formula: C22H13NO2 MolecularWeight: 323.34412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC=CC=C3.C1=CC2=C1C=C2

Isomeric SMILES

C#CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC=CC=C3.C1=CC2=C1C=C2

InChI

InChI=1S/C16H9NO2.C6H4/c1-2-11-7-6-10-13-14(11)16(19)17(15(13)18)12-8-4-3-5-9-12;1-2-6-4-3-5(1)6/h1,3-10H;1-4H