5-[(4-bromophenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid

Systemtic Name: 5-[(4-bromophenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid Openeye Name: 5-(4-bromoanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid CAS Name: 5-(4-bromoanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid IUPAC Name: 5-(4-bromoanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid Traditional Name: 5-(4-bromoanilino)-5-keto-3-(trifluoromethyl)valeric acid Formula: C12H11BrF3NO3 MolecularWeight: 354.11985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(CC(=O)O)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CC(CC(=O)O)C(F)(F)F)Br

InChI

InChI=1S/C12H11BrF3NO3/c13-8-1-3-9(4-2-8)17-10(18)5-7(6-11(19)20)12(14,15)16/h1-4,7H,5-6H2,(H,17,18)(H,19,20)