dimethyl (E)-2-(1-methylpyrrol-2-yl)-3-(trifluoromethylsulfonyloxy)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(1-methylpyrrol-2-yl)-3-(trifluoromethylsulfonyloxy)but-2-enedioate Openeye Name: dimethyl (E)-2-(1-methylpyrrol-2-yl)-3-(trifluoromethylsulfonyloxy)but-2-enedioate CAS Name: (E)-2-(1-methyl-2-pyrrolyl)-3-(trifluoromethylsulfonyloxy)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(1-methylpyrrol-2-yl)-3-(trifluoromethylsulfonyloxy)but-2-enedioate Traditional Name: (E)-2-(1-methylpyrrol-2-yl)-3-triflyloxy-but-2-enedioic acid dimethyl ester Formula: C12H12F3NO7S MolecularWeight: 371.28639

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=C(C(=O)OC)OS(=O)(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CN1C=CC=C1/C(=C(/C(=O)OC)\OS(=O)(=O)C(F)(F)F)/C(=O)OC

InChI

InChI=1S/C12H12F3NO7S/c1-16-6-4-5-7(16)8(10(17)21-2)9(11(18)22-3)23-24(19,20)12(13,14)15/h4-6H,1-3H3/b9-8+