3-ethyl-5-nitrooxy-adamantane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC3CC(C1)(CC(C3)(C2)O[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC12CC3CC(C1)(CC(C3)(C2)O[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H19NO5/c1-2-11-3-9-4-12(6-11,10(15)16)8-13(5-9,7-11)19-14(17)18/h9H,2-8H2,1H3,(H,15,16)