methyl 2-(2,6-dimethyl-4-nitro-phenyl)-3-methylperoxy-propanoate

Systemtic Name: methyl 2-(2,6-dimethyl-4-nitro-phenyl)-3-methylperoxy-propanoate Openeye Name: methyl 2-(2,6-dimethyl-4-nitro-phenyl)-3-methylperoxy-propanoate CAS Name: 2-(2,6-dimethyl-4-nitrophenyl)-3-methyldioxypropanoic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-4-nitrophenyl)-3-methylperoxypropanoate Traditional Name: 2-(2,6-dimethyl-4-nitro-phenyl)-3-methylperoxy-propionic acid methyl ester Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(COOC)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C(COOC)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO6/c1-8-5-10(14(16)17)6-9(2)12(8)11(7-20-19-4)13(15)18-3/h5-6,11H,7H2,1-4H3