[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C17H14BrFN2O4 MolecularWeight: 409.206463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H14BrFN2O4/c1-10(22)20-12-3-5-13(6-4-12)21-16(23)9-25-17(24)14-8-11(18)2-7-15(14)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23)