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

Systemtic Name: O5-[(3,5-dinitrophenyl)methyl] O3-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[(3,5-dinitrophenyl)methyl] O3-ethyl 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 O5-[(3,5-dinitrophenyl)methyl] ester O3-ethyl ester IUPAC Name: 5-O-[(3,5-dinitrophenyl)methyl] 3-O-ethyl 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 O5-(3,5-dinitrobenzyl) ester O3-ethyl ester Formula: C31H25N3O8 MolecularWeight: 567.5455

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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-])[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-])[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C31H25N3O8/c1-3-41-30(35)27-20(2)32-29(23-12-8-5-9-13-23)28(26(27)15-14-21-10-6-4-7-11-21)31(36)42-19-22-16-24(33(37)38)18-25(17-22)34(39)40/h4-13,16-18,26,32H,3,19H2,1-2H3