O3-ethyl O5-[(3-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-[(3-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[(3-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(3-nitrophenyl)methyl] ester IUPAC Name: 3-O-ethyl 5-O-[(3-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(3-nitrobenzyl) ester Formula: C31H26N2O6 MolecularWeight: 522.54794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-14-8-5-9-15-24)28(26(27)18-17-22-11-6-4-7-12-22)31(35)39-20-23-13-10-16-25(19-23)33(36)37/h4-16,19,26,32H,3,20H2,1-2H3