[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-(3-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(=C1)C#N)OC(=O)C2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(C=C(C=C2)F)Br

InChI

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