methyl 2-[(1R,4R)-4-(nitromethyl)-2-oxidanylidene-cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1R,4R)-4-(nitromethyl)-2-oxidanylidene-cyclohexyl]ethanoate Openeye Name: methyl 2-[(1R,4R)-4-(nitromethyl)-2-oxo-cyclohexyl]acetate CAS Name: 2-[(1R,4R)-4-(nitromethyl)-2-oxocyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,4R)-4-(nitromethyl)-2-oxocyclohexyl]acetate Traditional Name: 2-[(1R,4R)-2-keto-4-(nitromethyl)cyclohexyl]acetic acid methyl ester Formula: C10H15NO5 MolecularWeight: 229.2298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCC(CC1=O)C[N+](=O)[O-]

Isomeric SMILES

COC(=O)C[C@H]1CC[C@H](CC1=O)C[N+](=O)[O-]

InChI

InChI=1S/C10H15NO5/c1-16-10(13)5-8-3-2-7(4-9(8)12)6-11(14)15/h7-8H,2-6H2,1H3/t7-,8-/m1/s1