2-tert-butyl-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-tert-butyl-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-acetyl-2-tert-butyl-4-methyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-acetyl-2-tert-butyl-4-methyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-acetyl-2-tert-butyl-4-methyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-acetyl-2-tert-butyl-4-methyl-1H-pyrrole-3-carboxylic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-6-8(11(15)16)10(12(3,4)5)13-9(6)7(2)14/h13H,1-5H3,(H,15,16)