N1,N3-bis(1-adamantyl)-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(1-adamantyl)-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(1-adamantyl)-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(1-adamantyl)-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(1-adamantyl)-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis(1-adamantyl)-5-nitro-isophthalamide Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H35N3O4/c32-25(29-27-10-16-1-17(11-27)3-18(2-16)12-27)22-7-23(9-24(8-22)31(34)35)26(33)30-28-13-19-4-20(14-28)6-21(5-19)15-28/h7-9,16-21H,1-6,10-15H2,(H,29,32)(H,30,33)