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

Systemtic Name: (5R,7S)-3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid Openeye Name: (5R,7S)-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid CAS Name: (5R,7S)-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid IUPAC Name: (5R,7S)-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid Traditional Name: (5R,7S)-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid Formula: C13H15BrN4O4 MolecularWeight: 371.1866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN4O4/c14-10-15-11(18(21)22)16-17(10)13-4-7-1-8(5-13)3-12(2-7,6-13)9(19)20/h7-8H,1-6H2,(H,19,20)/t7-,8+,12?,13?