tetrahexyl 4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5,6-tetracarboxylate

Systemtic Name: tetrahexyl 4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5,6-tetracarboxylate Openeye Name: tetrahexyl 4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5,6-tetracarboxylate CAS Name: 4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5,6-tetracarboxylic acid tetrahexyl ester IUPAC Name: tetrahexyl 4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5,6-tetracarboxylate Traditional Name: 4-(3-nitrophenyl)-1,4-dihydropyridine-2,3,5,6-tetracarboxylic acid tetrahexyl ester Formula: C39H58N2O10 MolecularWeight: 714.88522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCCCC)C(=O)OCCCCCC)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCCCC)C(=O)OCCCCCC)C(=O)OCCCCCC

InChI

InChI=1S/C39H58N2O10/c1-5-9-13-17-24-48-36(42)32-31(29-22-21-23-30(28-29)41(46)47)33(37(43)49-25-18-14-10-6-2)35(39(45)51-27-20-16-12-8-4)40-34(32)38(44)50-26-19-15-11-7-3/h21-23,28,31,40H,5-20,24-27H2,1-4H3