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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C13H17NO4/c1-8(15)9-5-10(14-6-9)12(17)18-7-11(16)13(2,3)4/h5-6,14H,7H2,1-4H3