[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H15BrN2O4/c1-12(18(23)21-16-8-3-2-5-13(16)10-20)25-17(22)11-24-15-7-4-6-14(19)9-15/h2-9,12H,11H2,1H3,(H,21,23)