N-[3-(1-adamantylcarbonylamino)-4-nitro-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(1-adamantylcarbonylamino)-4-nitro-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(adamantane-1-carbonylamino)-4-nitro-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-adamantyl(oxo)methyl]amino]-4-nitrophenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(adamantane-1-carbonylamino)-4-nitrophenyl]adamantane-1-carboxamide Traditional Name: N-[3-(adamantane-1-carbonylamino)-4-nitro-phenyl]adamantane-1-carboxamide Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])NC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])NC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H35N3O4/c32-25(27-10-16-3-17(11-27)5-18(4-16)12-27)29-22-1-2-24(31(34)35)23(9-22)30-26(33)28-13-19-6-20(14-28)8-21(7-19)15-28/h1-2,9,16-21H,3-8,10-15H2,(H,29,32)(H,30,33)