(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=C(C=C(C=C5)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=C(C=C(C=C5)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O6/c1-33-21-6-4-20(5-7-21)25-10-16-8-17(11-25)13-26(12-16,15-25)24(30)34-14-19-3-2-18(23(27)29)9-22(19)28(31)32/h2-7,9,16-17H,8,10-15H2,1H3,(H2,27,29)