2-methylpropyl 5-(dioxidanylmethyl)pyridine-3-carboxylate

Systemtic Name: 2-methylpropyl 5-(dioxidanylmethyl)pyridine-3-carboxylate Openeye Name: isobutyl 5-(hydroperoxymethyl)pyridine-3-carboxylate CAS Name: 5-(hydroperoxymethyl)-3-pyridinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-(hydroperoxymethyl)pyridine-3-carboxylate Traditional Name: 5-(hydroperoxymethyl)nicotinic acid isobutyl ester Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=CN=C1)COO

Isomeric SMILES

CC(C)COC(=O)C1=CC(=CN=C1)COO

InChI

InChI=1S/C11H15NO4/c1-8(2)6-15-11(13)10-3-9(7-16-14)4-12-5-10/h3-5,8,14H,6-7H2,1-2H3