4-[3,4-bis(fluoranyl)phenyl]carbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]carbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3,4-difluorobenzoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3,4-difluorophenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3,4-difluorobenzoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3,4-difluorobenzoyl)-1H-pyrrole-2-carboxylic acid Formula: C12H7F2NO3 MolecularWeight: 251.185686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CNC(=C2)C(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CNC(=C2)C(=O)O)F)F

InChI

InChI=1S/C12H7F2NO3/c13-8-2-1-6(3-9(8)14)11(16)7-4-10(12(17)18)15-5-7/h1-5,15H,(H,17,18)