3,5-dimethyl-7-nitrooxy-adamantane-1-carboxylic acid

Systemtic Name: 3,5-dimethyl-7-nitrooxy-adamantane-1-carboxylic acid Openeye Name: 3,5-dimethyl-7-nitrooxy-adamantane-1-carboxylic acid CAS Name: 3,5-dimethyl-7-nitrooxy-1-adamantanecarboxylic acid IUPAC Name: 3,5-dimethyl-7-nitrooxyadamantane-1-carboxylic acid Traditional Name: 3,5-dimethyl-7-nitrooxy-adamantane-1-carboxylic acid Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)O[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)O[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C13H19NO5/c1-10-3-11(2)5-12(4-10,9(15)16)8-13(6-10,7-11)19-14(17)18/h3-8H2,1-2H3,(H,15,16)