methyl 3,5-dinitroadamantane-1-carboxylate

Systemtic Name: methyl 3,5-dinitroadamantane-1-carboxylate Openeye Name: methyl 3,5-dinitroadamantane-1-carboxylate CAS Name: 3,5-dinitro-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3,5-dinitroadamantane-1-carboxylate Traditional Name: 3,5-dinitroadamantane-1-carboxylic acid methyl ester Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)(CC(C3)(C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C12CC3CC(C1)(CC(C3)(C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6/c1-20-9(15)10-2-8-3-11(5-10,13(16)17)7-12(4-8,6-10)14(18)19/h8H,2-7H2,1H3