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

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C19H19BrFNO3 MolecularWeight: 408.261463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C19H19BrFNO3/c1-3-12-6-5-7-13(4-2)18(12)22-17(23)11-25-19(24)15-10-14(20)8-9-16(15)21/h5-10H,3-4,11H2,1-2H3,(H,22,23)