[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C17H15BrFNO3 MolecularWeight: 380.208303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H15BrFNO3/c1-10-4-3-5-11(2)16(10)20-15(21)9-23-17(22)13-8-12(18)6-7-14(13)19/h3-8H,9H2,1-2H3,(H,20,21)