O3-heptyl O5-tetradecyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-heptyl O5-tetradecyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-heptyl O5-tetradecyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-heptyl ester O5-tetradecyl ester IUPAC Name: 3-O-heptyl 5-O-tetradecyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-heptyl ester O5-myristyl ester Formula: C36H56N2O6 MolecularWeight: 612.83964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCCCCCC)C)C

InChI

InChI=1S/C36H56N2O6/c1-5-7-9-11-12-13-14-15-16-17-19-23-27-44-36(40)33-29(4)37-28(3)32(35(39)43-26-22-18-10-8-6-2)34(33)30-24-20-21-25-31(30)38(41)42/h20-21,24-25,34,37H,5-19,22-23,26-27H2,1-4H3