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

Systemtic Name: diethyl 5-bromanyl-1-[2,2,2-tris(fluoranyl)ethanoyl]-3H-indole-2,2-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C16H15BrF3NO5 MolecularWeight: 438.19321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(N1C(=O)C(F)(F)F)C=CC(=C2)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2=C(N1C(=O)C(F)(F)F)C=CC(=C2)Br)C(=O)OCC

InChI

InChI=1S/C16H15BrF3NO5/c1-3-25-13(23)15(14(24)26-4-2)8-9-7-10(17)5-6-11(9)21(15)12(22)16(18,19)20/h5-7H,3-4,8H2,1-2H3