methyl 4-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H17BrN2O5/c1-3-26-16-9-12(10-21)8-15(20)18(16)27-11-17(23)22-14-6-4-13(5-7-14)19(24)25-2/h4-9H,3,11H2,1-2H3,(H,22,23)