N-[[3-[[(3,5-dinitrophenyl)carbonylamino]methyl]-1-adamantyl]methyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3-[[(3,5-dinitrophenyl)carbonylamino]methyl]-1-adamantyl]methyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-[[(3,5-dinitrobenzoyl)amino]methyl]-1-adamantyl]methyl]-3,5-dinitro-benzamide CAS Name: N-[[3-[[[(3,5-dinitrophenyl)-oxomethyl]amino]methyl]-1-adamantyl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-[[(3,5-dinitrobenzoyl)amino]methyl]-1-adamantyl]methyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-[[(3,5-dinitrobenzoyl)amino]methyl]-1-adamantyl]methyl]-3,5-dinitro-benzamide Formula: C26H26N6O10 MolecularWeight: 582.51884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)CNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])CNC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)CNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])CNC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O10/c33-23(17-2-19(29(35)36)6-20(3-17)30(37)38)27-13-25-8-15-1-16(9-25)11-26(10-15,12-25)14-28-24(34)18-4-21(31(39)40)7-22(5-18)32(41)42/h2-7,15-16H,1,8-14H2,(H,27,33)(H,28,34)