[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H12BrFN2O3 MolecularWeight: 391.191183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=C(C=CC(=C2)F)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=C(C=CC(=C2)F)Br

InChI

InChI=1S/C17H12BrFN2O3/c1-10(16(22)21-15-5-3-2-4-11(15)9-20)24-17(23)13-8-12(19)6-7-14(13)18/h2-8,10H,1H3,(H,21,22)