(5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxylate Formula: C13H15BrN3O2- MolecularWeight: 325.1811

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrN3O2/c14-11-15-7-17(16-11)13-4-8-1-9(5-13)3-12(2-8,6-13)10(18)19/h7-9H,1-6H2,(H,18,19)/p-1/t8-,9+,12?,13?