dimethyl 4-[2-(4-nitrophenyl)ethynyl]pyridine-2,6-dicarboxylate

Systemtic Name: dimethyl 4-[2-(4-nitrophenyl)ethynyl]pyridine-2,6-dicarboxylate Openeye Name: dimethyl 4-[2-(4-nitrophenyl)ethynyl]pyridine-2,6-dicarboxylate CAS Name: 4-[2-(4-nitrophenyl)ethynyl]pyridine-2,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-(4-nitrophenyl)ethynyl]pyridine-2,6-dicarboxylate Traditional Name: 4-[2-(4-nitrophenyl)ethynyl]pyridine-2,6-dicarboxylic acid dimethyl ester Formula: C17H12N2O6 MolecularWeight: 340.28698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=N1)C(=O)OC)C#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=N1)C(=O)OC)C#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c1-24-16(20)14-9-12(10-15(18-14)17(21)25-2)4-3-11-5-7-13(8-6-11)19(22)23/h5-10H,1-2H3