dipropan-2-yl 4-(3,5-dinitro-2-pentadecyl-6-propan-2-yloxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dipropan-2-yl 4-(3,5-dinitro-2-pentadecyl-6-propan-2-yloxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopropyl 4-(2-isopropoxy-3,5-dinitro-6-pentadecyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3,5-dinitro-2-pentadecyl-6-propan-2-yloxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-(3,5-dinitro-2-pentadecyl-6-propan-2-yloxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-isopropoxy-3,5-dinitro-6-pentadecyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C39H61N3O9 MolecularWeight: 715.91634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(C)C)C2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(C)C)C2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OC(C)C

InChI

InChI=1S/C39H61N3O9/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-31(41(45)46)24-32(42(47)48)37(49-25(2)3)35(30)36-33(38(43)50-26(4)5)28(8)40-29(9)34(36)39(44)51-27(6)7/h24-27,36,40H,10-23H2,1-9H3