[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C18H17BrFNO6 MolecularWeight: 442.233083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H17BrFNO6/c1-24-14-7-11(8-15(25-2)17(14)26-3)21-16(22)9-27-18(23)12-5-4-10(19)6-13(12)20/h4-8H,9H2,1-3H3,(H,21,22)