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

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C17H16BrFN2O3 MolecularWeight: 395.222943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrFN2O3/c1-21(2)13-6-4-12(5-7-13)20-16(22)10-24-17(23)14-9-11(18)3-8-15(14)19/h3-9H,10H2,1-2H3,(H,20,22)