methyl 2-cyano-2-[1-(nitromethyl)-2-oxidanylidene-cyclohexyl]ethanoate

Systemtic Name: methyl 2-cyano-2-[1-(nitromethyl)-2-oxidanylidene-cyclohexyl]ethanoate Openeye Name: methyl 2-cyano-2-[1-(nitromethyl)-2-oxo-cyclohexyl]acetate CAS Name: 2-cyano-2-[1-(nitromethyl)-2-oxocyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[1-(nitromethyl)-2-oxocyclohexyl]acetate Traditional Name: 2-cyano-2-[2-keto-1-(nitromethyl)cyclohexyl]acetic acid methyl ester Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1(CCCCC1=O)C[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C#N)C1(CCCCC1=O)C[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5/c1-18-10(15)8(6-12)11(7-13(16)17)5-3-2-4-9(11)14/h8H,2-5,7H2,1H3