[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4/c19-14-6-8-16(9-7-14)24-13-18(23)25-12-17(22)21(11-10-20)15-4-2-1-3-5-15/h1-9H,11-13H2