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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H15BrFNO5 MolecularWeight: 412.207103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F)OC

InChI

InChI=1S/C17H15BrFNO5/c1-23-14-6-4-11(8-15(14)24-2)20-16(21)9-25-17(22)12-7-10(18)3-5-13(12)19/h3-8H,9H2,1-2H3,(H,20,21)