2-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-2-(4-cyanoanilino)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-2-(4-cyanoanilino)acetate IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-2-(4-cyanoanilino)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-2-(4-cyanoanilino)acetate Formula: C17H14BrN2O4- MolecularWeight: 390.20806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)Br)OC

InChI

InChI=1S/C17H15BrN2O4/c1-23-14-7-12(13(18)8-15(14)24-2)16(17(21)22)20-11-5-3-10(9-19)4-6-11/h3-8,16,20H,1-2H3,(H,21,22)/p-1