dimethyl 5-nitroadamantane-1,3-dicarboxylate

Systemtic Name: dimethyl 5-nitroadamantane-1,3-dicarboxylate Openeye Name: dimethyl 5-nitroadamantane-1,3-dicarboxylate CAS Name: 5-nitroadamantane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-nitroadamantane-1,3-dicarboxylate Traditional Name: 5-nitroadamantane-1,3-dicarboxylic acid dimethyl ester Formula: C14H19NO6 MolecularWeight: 297.30376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6/c1-20-10(16)12-3-9-4-13(6-12,11(17)21-2)8-14(5-9,7-12)15(18)19/h9H,3-8H2,1-2H3