4-ethanoyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione

Systemtic Name: 4-ethanoyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione Openeye Name: 4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione CAS Name: 4-acetyl-3-(3-methyl-1-oxobutyl)-3H-pyridine-2,6-dione IUPAC Name: 4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione Traditional Name: 4-acetyl-3-isovaleryl-3H-pyridine-2,6-quinone Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1C(=CC(=O)NC1=O)C(=O)C

Isomeric SMILES

CC(C)CC(=O)C1C(=CC(=O)NC1=O)C(=O)C

InChI

InChI=1S/C12H15NO4/c1-6(2)4-9(15)11-8(7(3)14)5-10(16)13-12(11)17/h5-6,11H,4H2,1-3H3,(H,13,16,17)