1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrole-3-carboxylate Formula: C14H10F2NO4- MolecularWeight: 294.230306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OC(O3)(F)F)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OC(O3)(F)F)C)C(=O)[O-]

InChI

InChI=1S/C14H11F2NO4/c1-7-5-10(13(18)19)8(2)17(7)9-3-4-11-12(6-9)21-14(15,16)20-11/h3-6H,1-2H3,(H,18,19)/p-1