[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C(C)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H17BrN2O4/c1-12(18(23)22-17-6-4-3-5-14(17)11-21)26-19(24)13(2)25-16-9-7-15(20)8-10-16/h3-10,12-13H,1-2H3,(H,22,23)