diethyl 4-[2-(2-ethoxypentadecyl)-3,5-dinitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[2-(2-ethoxypentadecyl)-3,5-dinitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[2-(2-ethoxypentadecyl)-3,5-dinitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(2-ethoxypentadecyl)-3,5-dinitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[2-(2-ethoxypentadecyl)-3,5-dinitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-(2-ethoxypentadecyl)-3,5-dinitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C36H55N3O9 MolecularWeight: 673.8366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC1=C(C=C(C=C1C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCCCCCCCCCCCCC(CC1=C(C=C(C=C1C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C36H55N3O9/c1-7-11-12-13-14-15-16-17-18-19-20-21-28(46-8-2)24-29-30(22-27(38(42)43)23-31(29)39(44)45)34-32(35(40)47-9-3)25(5)37-26(6)33(34)36(41)48-10-4/h22-23,28,34,37H,7-21,24H2,1-6H3