2-methylpropyl 4-cyano-3-ethanoyl-4H-pyridine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-cyano-3-ethanoyl-4H-pyridine-1-carboxylate Openeye Name: isobutyl 3-acetyl-4-cyano-4H-pyridine-1-carboxylate CAS Name: 3-acetyl-4-cyano-4H-pyridine-1-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-acetyl-4-cyano-4H-pyridine-1-carboxylate Traditional Name: 3-acetyl-4-cyano-4H-pyridine-1-carboxylic acid isobutyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1C=CC(C(=C1)C(=O)C)C#N

Isomeric SMILES

CC(C)COC(=O)N1C=CC(C(=C1)C(=O)C)C#N

InChI

InChI=1S/C13H16N2O3/c1-9(2)8-18-13(17)15-5-4-11(6-14)12(7-15)10(3)16/h4-5,7,9,11H,8H2,1-3H3