diethyl 2-[2-[2-(4-nitrophenyl)ethynyl]phenyl]propanedioate

Systemtic Name: diethyl 2-[2-[2-(4-nitrophenyl)ethynyl]phenyl]propanedioate Openeye Name: diethyl 2-[2-[2-(4-nitrophenyl)ethynyl]phenyl]propanedioate CAS Name: 2-[2-[2-(4-nitrophenyl)ethynyl]phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[2-(4-nitrophenyl)ethynyl]phenyl]propanedioate Traditional Name: 2-[2-[2-(4-nitrophenyl)ethynyl]phenyl]malonic acid diethyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6/c1-3-27-20(23)19(21(24)28-4-2)18-8-6-5-7-16(18)12-9-15-10-13-17(14-11-15)22(25)26/h5-8,10-11,13-14,19H,3-4H2,1-2H3