[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C18H17BrFNO3 MolecularWeight: 394.234883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C18H17BrFNO3/c1-12-4-2-3-5-13(12)8-9-21-17(22)11-24-18(23)15-7-6-14(20)10-16(15)19/h2-7,10H,8-9,11H2,1H3,(H,21,22)