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

Systemtic Name: 3-methyl-5-nitrooxy-adamantane-1-carboxylic acid Openeye Name: 3-methyl-5-nitrooxy-adamantane-1-carboxylic acid CAS Name: 3-methyl-5-nitrooxy-1-adamantanecarboxylic acid IUPAC Name: 3-methyl-5-nitrooxyadamantane-1-carboxylic acid Traditional Name: 3-methyl-5-nitrooxy-adamantane-1-carboxylic acid Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)O[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)O[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H17NO5/c1-10-2-8-3-11(5-10,9(14)15)7-12(4-8,6-10)18-13(16)17/h8H,2-7H2,1H3,(H,14,15)