4-[3,5-bis(fluoranyl)phenyl]carbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[3,5-bis(fluoranyl)phenyl]carbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3,5-difluorobenzoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3,5-difluorophenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3,5-difluorobenzoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3,5-difluorobenzoyl)-1H-pyrrole-2-carboxylic acid Formula: C12H7F2NO3 MolecularWeight: 251.185686

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)C(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1F)F)C(=O)C2=CNC(=C2)C(=O)O

InChI

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