N1,N3-bis(1-adamantyl)-5-nitro-2-nitroso-benzene-1,3-diamine

Systemtic Name: N1,N3-bis(1-adamantyl)-5-nitro-2-nitroso-benzene-1,3-diamine Openeye Name: N1,N3-bis(1-adamantyl)-5-nitro-2-nitroso-benzene-1,3-diamine CAS Name: N1,N3-bis(1-adamantyl)-5-nitro-2-nitrosobenzene-1,3-diamine IUPAC Name: 1-N,3-N-bis(1-adamantyl)-5-nitro-2-nitrosobenzene-1,3-diamine Traditional Name: 1-adamantyl-[3-(1-adamantylamino)-5-nitro-2-nitroso-phenyl]amine Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=CC(=CC(=C4N=O)NC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=CC(=CC(=C4N=O)NC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O3/c31-29-24-22(27-25-9-15-1-16(10-25)3-17(2-15)11-25)7-21(30(32)33)8-23(24)28-26-12-18-4-19(13-26)6-20(5-18)14-26/h7-8,15-20,27-28H,1-6,9-14H2