5-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[4-bromo-3-(trifluoromethyl)anilino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[4-bromo-3-(trifluoromethyl)anilino]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[4-bromo-3-(trifluoromethyl)anilino]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[4-bromo-3-(trifluoromethyl)anilino]-5-keto-3,3-dimethyl-valerate Formula: C14H14BrF3NO3- MolecularWeight: 381.16507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C14H15BrF3NO3/c1-13(2,7-12(21)22)6-11(20)19-8-3-4-10(15)9(5-8)14(16,17)18/h3-5H,6-7H2,1-2H3,(H,19,20)(H,21,22)/p-1