methyl 4-ethynyl-1-(nitromethyl)-2,4-bis(oxidanyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-ethynyl-1-(nitromethyl)-2,4-bis(oxidanyl)cyclohexane-1-carboxylate Openeye Name: methyl 4-ethynyl-2,4-dihydroxy-1-(nitromethyl)cyclohexanecarboxylate CAS Name: 4-ethynyl-2,4-dihydroxy-1-(nitromethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-ethynyl-2,4-dihydroxy-1-(nitromethyl)cyclohexane-1-carboxylate Traditional Name: 4-ethynyl-2,4-dihydroxy-1-(nitromethyl)cyclohexanecarboxylic acid methyl ester Formula: C11H15NO6 MolecularWeight: 257.2399

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(CC1O)(C#C)O)C[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCC(CC1O)(C#C)O)C[N+](=O)[O-]

InChI

InChI=1S/C11H15NO6/c1-3-10(15)4-5-11(7-12(16)17,8(13)6-10)9(14)18-2/h1,8,13,15H,4-7H2,2H3