N-[4-[[4-(1-adamantylcarbonylamino)-2-nitro-phenyl]methyl]-3-nitro-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[4-(1-adamantylcarbonylamino)-2-nitro-phenyl]methyl]-3-nitro-phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[[4-(adamantane-1-carbonylamino)-2-nitro-phenyl]methyl]-3-nitro-phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-[[1-adamantyl(oxo)methyl]amino]-2-nitrophenyl]methyl]-3-nitrophenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[4-(adamantane-1-carbonylamino)-2-nitrophenyl]methyl]-3-nitrophenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(adamantane-1-carbonylamino)-2-nitro-benzyl]-3-nitro-phenyl]adamantane-1-carboxamide Formula: C35H40N4O6 MolecularWeight: 612.7153

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=C(C=C4)CC5=C(C=C(C=C5)NC(=O)C67CC8CC(C6)CC(C8)C7)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=C(C=C4)CC5=C(C=C(C=C5)NC(=O)C67CC8CC(C6)CC(C8)C7)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C35H40N4O6/c40-32(34-14-20-5-21(15-34)7-22(6-20)16-34)36-28-3-1-26(30(12-28)38(42)43)11-27-2-4-29(13-31(27)39(44)45)37-33(41)35-17-23-8-24(18-35)10-25(9-23)19-35/h1-4,12-13,20-25H,5-11,14-19H2,(H,36,40)(H,37,41)