(3,3-dimethyl-2-oxidanylidene-butyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C15H21NO4/c1-8-12(10(3)17)9(2)16-13(8)14(19)20-7-11(18)15(4,5)6/h16H,7H2,1-6H3