1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]pyrrole-2-carboxylic acid Openeye Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrole-2-carboxylic acid CAS Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolecarboxylic acid IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrole-2-carboxylic acid Traditional Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrole-2-carboxylic acid Formula: C12H7F2NO4 MolecularWeight: 267.185086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C(=O)O)C2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1=CN(C(=C1)C(=O)O)C2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C12H7F2NO4/c13-12(14)18-9-4-3-7(6-10(9)19-12)15-5-1-2-8(15)11(16)17/h1-6H,(H,16,17)