N-[3,5-bis(4-methyl-3,5-dinitro-phenyl)-1-adamantyl]ethanamide

Systemtic Name: N-[3,5-bis(4-methyl-3,5-dinitro-phenyl)-1-adamantyl]ethanamide Openeye Name: N-[3,5-bis(4-methyl-3,5-dinitro-phenyl)-1-adamantyl]acetamide CAS Name: N-[3,5-bis(4-methyl-3,5-dinitrophenyl)-1-adamantyl]acetamide IUPAC Name: N-[3,5-bis(4-methyl-3,5-dinitrophenyl)-1-adamantyl]acetamide Traditional Name: N-[3,5-bis(4-methyl-3,5-dinitro-phenyl)-1-adamantyl]acetamide Formula: C26H27N5O9 MolecularWeight: 553.52068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)(CC(C4)(C3)NC(=O)C)C5=CC(=C(C(=C5)[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)(CC(C4)(C3)NC(=O)C)C5=CC(=C(C(=C5)[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O9/c1-14-20(28(33)34)4-18(5-21(14)29(35)36)24-8-17-9-25(11-24,13-26(10-17,12-24)27-16(3)32)19-6-22(30(37)38)15(2)23(7-19)31(39)40/h4-7,17H,8-13H2,1-3H3,(H,27,32)