3-[4-[2-(4-nitrophenyl)ethynyl]phenyl]-2-oxidanyl-2H-furan-5-one

Systemtic Name: 3-[4-[2-(4-nitrophenyl)ethynyl]phenyl]-2-oxidanyl-2H-furan-5-one Openeye Name: 2-hydroxy-3-[4-[2-(4-nitrophenyl)ethynyl]phenyl]-2H-furan-5-one CAS Name: 2-hydroxy-3-[4-[2-(4-nitrophenyl)ethynyl]phenyl]-2H-furan-5-one IUPAC Name: 2-hydroxy-3-[4-[2-(4-nitrophenyl)ethynyl]phenyl]-2H-furan-5-one Traditional Name: 2-hydroxy-3-[4-[2-(4-nitrophenyl)ethynyl]phenyl]-2H-furan-5-one Formula: C18H11NO5 MolecularWeight: 321.28364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=O)OC3O

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=O)OC3O

InChI

InChI=1S/C18H11NO5/c20-17-11-16(18(21)24-17)14-7-3-12(4-8-14)1-2-13-5-9-15(10-6-13)19(22)23/h3-11,18,21H