4-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]piperazine-1-carboxylic acid Openeye Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)piperazine-1-carboxylic acid CAS Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)piperazine-1-carboxylic acid Traditional Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)piperazine-1-carboxylic acid Formula: C12H12F2N2O4 MolecularWeight: 286.231486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=CC=C2)OC(O3)(F)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C3C(=CC=C2)OC(O3)(F)F)C(=O)O

InChI

InChI=1S/C12H12F2N2O4/c13-12(14)19-9-3-1-2-8(10(9)20-12)15-4-6-16(7-5-15)11(17)18/h1-3H,4-7H2,(H,17,18)