dimethyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzene-1,4-dicarboxylate CAS Name: 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C14H10F7NO5 MolecularWeight: 405.221722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C14H10F7NO5/c1-26-9(23)6-3-4-7(10(24)27-2)8(5-6)22-11(25)12(15,16)13(17,18)14(19,20)21/h3-5H,1-2H3,(H,22,25)