methyl 2-[3-(2-bromanylphenoxy)quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-(2-bromanylphenoxy)quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-(2-bromophenoxy)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-(2-bromophenoxy)-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-(2-bromophenoxy)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(2-bromophenoxy)quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1OC3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1OC3=CC=CC=C3Br

InChI

InChI=1S/C18H12BrN3O3/c1-24-18(23)11(10-20)16-17(25-15-9-5-2-6-12(15)19)22-14-8-4-3-7-13(14)21-16/h2-9,11H,1H3