[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H12BrFN2O3 MolecularWeight: 391.191183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=C(C=C(C=C2)F)Br

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C17H12BrFN2O3/c18-15-9-12(19)3-6-14(15)17(23)24-10-16(22)21-13-4-1-11(2-5-13)7-8-20/h1-6,9H,7,10H2,(H,21,22)