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

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-nitrophenyl)carbonyloxyadamantane-1-carboxylate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-nitrobenzoyl)oxyadamantane-1-carboxylate CAS Name: 3-[(4-nitrophenyl)-oxomethoxy]-1-adamantanecarboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-nitrobenzoyl)oxyadamantane-1-carboxylate Traditional Name: 3-(4-nitrobenzoyl)oxyadamantane-1-carboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC5=C(NC=N5)C(=O)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC5=C(NC=N5)C(=O)N

InChI

InChI=1S/C22H22N4O7/c23-17(27)16-18(25-11-24-16)32-20(29)21-6-12-5-13(7-21)9-22(8-12,10-21)33-19(28)14-1-3-15(4-2-14)26(30)31/h1-4,11-13H,5-10H2,(H2,23,27)(H,24,25)