methyl 4,4-dinitroadamantane-1-carboxylate

Systemtic Name: methyl 4,4-dinitroadamantane-1-carboxylate Openeye Name: methyl 4,4-dinitroadamantane-1-carboxylate CAS Name: 4,4-dinitro-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 4,4-dinitroadamantane-1-carboxylate Traditional Name: 4,4-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)C(C(C3)C2)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6/c1-20-10(15)11-4-7-2-8(5-11)12(13(16)17,14(18)19)9(3-7)6-11/h7-9H,2-6H2,1H3