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

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-(3-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(=C1)C#N)OC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)COC2=CC(=CC=C2)Br

InChI

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