5-(phenylcarbonyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(phenylcarbonyl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-benzoyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-benzoyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-benzoyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-benzoyl-1H-pyrrole-3-carboxylic acid Formula: C12H9NO3 MolecularWeight: 215.20476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CN2)C(=O)O

InChI

InChI=1S/C12H9NO3/c14-11(8-4-2-1-3-5-8)10-6-9(7-13-10)12(15)16/h1-7,13H,(H,15,16)