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

Systemtic Name: 5-bromanyl-1-[2,2,2-tris(fluoranyl)ethanoyl]-3H-indole-2,2-dicarboxylic acid Openeye Name: 5-bromo-1-(2,2,2-trifluoroacetyl)indoline-2,2-dicarboxylic acid CAS Name: 5-bromo-1-(2,2,2-trifluoro-1-oxoethyl)-3H-indole-2,2-dicarboxylic acid IUPAC Name: 5-bromo-1-(2,2,2-trifluoroacetyl)-3H-indole-2,2-dicarboxylic acid Traditional Name: 5-bromo-1-(2,2,2-trifluoroacetyl)indoline-2,2-dicarboxylic acid Formula: C12H7BrF3NO5 MolecularWeight: 382.08689

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)N(C1(C(=O)O)C(=O)O)C(=O)C(F)(F)F

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)N(C1(C(=O)O)C(=O)O)C(=O)C(F)(F)F

InChI

InChI=1S/C12H7BrF3NO5/c13-6-1-2-7-5(3-6)4-11(9(19)20,10(21)22)17(7)8(18)12(14,15)16/h1-3H,4H2,(H,19,20)(H,21,22)