(5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-nitrophenyl)adamantane-1-carboxylate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-nitrophenyl)adamantane-1-carboxylate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-nitrophenyl)adamantane-1-carboxylate CAS Name: 3-(4-nitrophenyl)-1-adamantanecarboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-nitrophenyl)adamantane-1-carboxylate Traditional Name: 3-(4-nitrophenyl)adamantane-1-carboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c22-17(26)16-18(24-11-23-16)30-19(27)21-8-12-5-13(9-21)7-20(6-12,10-21)14-1-3-15(4-2-14)25(28)29/h1-4,11-13H,5-10H2,(H2,22,26)(H,23,24)