N-[1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C26H37N3O6 MolecularWeight: 487.58848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H37N3O6/c1-15(2)23(28-25(31)26-12-16-7-17(13-26)9-18(8-16)14-26)24(30)27-6-5-19-10-21(34-3)22(35-4)11-20(19)29(32)33/h10-11,15-18,23H,5-9,12-14H2,1-4H3,(H,27,30)(H,28,31)