5-methanoyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-methanoyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-formyl-2,4-diisopropyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-formyl-2,4-diisopropyl-1H-pyrrole-3-carboxylic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=C1C(=O)O)C(C)C)C=O

Isomeric SMILES

CC(C)C1=C(NC(=C1C(=O)O)C(C)C)C=O

InChI

InChI=1S/C12H17NO3/c1-6(2)9-8(5-14)13-11(7(3)4)10(9)12(15)16/h5-7,13H,1-4H3,(H,15,16)