methyl 3-methyl-5-nitro-adamantane-1-carboxylate

Systemtic Name: methyl 3-methyl-5-nitro-adamantane-1-carboxylate Openeye Name: methyl 3-methyl-5-nitro-adamantane-1-carboxylate CAS Name: 3-methyl-5-nitro-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-nitroadamantane-1-carboxylate Traditional Name: 3-methyl-5-nitro-adamantane-1-carboxylic acid methyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-11-3-9-4-12(6-11,10(15)18-2)8-13(5-9,7-11)14(16)17/h9H,3-8H2,1-2H3