[(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-(4-bromo-2-fluoro-anilino)-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=C(C=C(C=C1)Br)F)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H12BrFN2O3/c1-10(16(22)21-15-6-5-13(18)8-14(15)19)24-17(23)12-4-2-3-11(7-12)9-20/h2-8,10H,1H3,(H,21,22)/t10-/m1/s1