dimethyl 5-bromanyl-1-[2,2,2-tris(fluoranyl)ethanoyl]-3H-indole-2,2-dicarboxylate

Systemtic Name: dimethyl 5-bromanyl-1-[2,2,2-tris(fluoranyl)ethanoyl]-3H-indole-2,2-dicarboxylate Openeye Name: dimethyl 5-bromo-1-(2,2,2-trifluoroacetyl)indoline-2,2-dicarboxylate CAS Name: 5-bromo-1-(2,2,2-trifluoro-1-oxoethyl)-3H-indole-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-bromo-1-(2,2,2-trifluoroacetyl)-3H-indole-2,2-dicarboxylate Traditional Name: 5-bromo-1-(2,2,2-trifluoroacetyl)indoline-2,2-dicarboxylic acid dimethyl ester Formula: C14H11BrF3NO5 MolecularWeight: 410.14005

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=C(N1C(=O)C(F)(F)F)C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC2=C(N1C(=O)C(F)(F)F)C=CC(=C2)Br)C(=O)OC

InChI

InChI=1S/C14H11BrF3NO5/c1-23-11(21)13(12(22)24-2)6-7-5-8(15)3-4-9(7)19(13)10(20)14(16,17)18/h3-5H,6H2,1-2H3