methyl N-(3,5-dinitro-1-adamantyl)carbamate

Systemtic Name: methyl N-(3,5-dinitro-1-adamantyl)carbamate Openeye Name: methyl N-(3,5-dinitro-1-adamantyl)carbamate CAS Name: N-(3,5-dinitro-1-adamantyl)carbamic acid methyl ester IUPAC Name: methyl N-(3,5-dinitro-1-adamantyl)carbamate Traditional Name: N-(3,5-dinitro-1-adamantyl)carbamic acid methyl ester Formula: C12H17N3O6 MolecularWeight: 299.27988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC12CC3CC(C1)(CC(C3)(C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC12CC3CC(C1)(CC(C3)(C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6/c1-21-9(16)13-10-2-8-3-11(5-10,14(17)18)7-12(4-8,6-10)15(19)20/h8H,2-7H2,1H3,(H,13,16)