4-(2,2-dimethylpropanoyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2,2-dimethylpropanoyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2,2-dimethylpropanoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2,2-dimethyl-1-oxopropyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2,2-dimethylpropanoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-pivaloyl-1H-pyrrole-2-carboxylic acid Formula: C10H13NO3 MolecularWeight: 195.21512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO3/c1-10(2,3)8(12)6-4-7(9(13)14)11-5-6/h4-5,11H,1-3H3,(H,13,14)