6-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(2-bromo-4,6-difluoro-anilino)-6-oxo-hexanoic acid CAS Name: 6-(2-bromo-4,6-difluoroanilino)-6-oxohexanoic acid IUPAC Name: 6-(2-bromo-4,6-difluoroanilino)-6-oxohexanoic acid Traditional Name: 6-(2-bromo-4,6-difluoro-anilino)-6-keto-hexanoic acid Formula: C12H12BrF2NO3 MolecularWeight: 336.129386

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)NC(=O)CCCCC(=O)O)Br)F

Isomeric SMILES

C1=C(C=C(C(=C1F)NC(=O)CCCCC(=O)O)Br)F

InChI

InChI=1S/C12H12BrF2NO3/c13-8-5-7(14)6-9(15)12(8)16-10(17)3-1-2-4-11(18)19/h5-6H,1-4H2,(H,16,17)(H,18,19)